Cas no 6279-04-5 ((4-chlorophenyl)(2-hydroxy-3-methylphenyl)methanone)
6279-04-5 structure
Product Name:(4-chlorophenyl)(2-hydroxy-3-methylphenyl)methanone
CAS No:6279-04-5
MF:C14H11ClO2
MW:246.688943147659
CID:957899
PubChem ID:223484
Update Time:2025-04-19
(4-chlorophenyl)(2-hydroxy-3-methylphenyl)methanone Chemical and Physical Properties
Names and Identifiers
-
- (4-chlorophenyl)(2-hydroxy-3-methylphenyl)methanone
- AKOS006278990; AC1MHZDK; AC1Q2BP1; LS-47490; 2-Hydroxy-3-methyl-4'-chlorbenzophenon; 4-chloro-2-cyclopropyl-but-3-yn-2-ol; 4-Chlor-2-ethyl-benzoesaeure; 4-Chlor-2-ethylbenzoesaeure; 4-Chloro-2-cyclopropyl-3-butyn-2-ol; BRN 3234362; 4-Chlor-2-cyclopropyl-but-3-in-2-ol; 4'-Chlor-2-hydroxy-3-methyl-benzophenon; 2-hydroxy-3-methyl-4'-chlorobenzophenone; 3-Butyn-2-ol, 4-chloro-2-cyclopropyl-; 4'-chloro-2-hydroxy-3-methyl-benzophenone;
- NSC-11165
- DTXSID60978453
- (4-chlorophenyl)-(2-hydroxy-3-methylphenyl)methanone
- 2-hydroxy-3-methyl-4'-chlorobenzophenone
- 6279-04-5
- RTAQNUUHINNFBO-UHFFFAOYSA-N
- NSC11165
- CHEMBL25002
- SCHEMBL11527061
-
- Inchi： 1S/C14H11ClO2/c1-9-3-2-4-12(13(9)16)14(17)10-5-7-11(15)8-6-10/h2-8,16H,1H3
- InChI Key： RTAQNUUHINNFBO-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(C1C=CC=C(C)C=1O)=O
Computed Properties
- Exact Mass: 246.04483
- Monoisotopic Mass: 246.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 3.58500
(4-chlorophenyl)(2-hydroxy-3-methylphenyl)methanone Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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