(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone

C15H10ClF3O2 — CID 114970683

IUPAC(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(Cl)ccc1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O2/c1-21-13-8-11(16)6-7-12(13)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3
InChIKeySCGIFDKMRZLFMY-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.60
Rot. Bonds3

About (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone

(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 114970683) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID114970683
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(Cl)ccc1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O2/c1-21-13-8-11(16)6-7-12(13)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3
InChIKeySCGIFDKMRZLFMY-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301430
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
methyl 4-chloro-2-[[4-(trifluoromethyl)benzoyl]amino]benzoate
CID 2440555
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
[2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate
CID 70691202
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
(2-fluoro-4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970701
(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43344718
(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970678
4-chloro-2-methoxybenzamide
CID 19741766

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone (CID 114970683) is (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone is COc1cc(Cl)ccc1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is SCGIFDKMRZLFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c1-21-13-8-11(16)6-7-12(13)14(20)9-2-4-10(5-3-9)15(17,18)19/h2-8H,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone?
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 314.69 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114970683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).