(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone

C15H12ClFO3 — CID 62502800

IUPAC(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2F)cc(Cl)c1OC
InChIInChI=1S/C15H12ClFO3/c1-19-13-8-9(7-11(16)15(13)20-2)14(18)10-5-3-4-6-12(10)17/h3-8H,1-2H3
InChIKeyYYXFUABYFMOJKL-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.73
Rot. Bonds4

About (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone

(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone (PubChem CID 62502800) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
PubChem CID62502800
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2F)cc(Cl)c1OC
InChIInChI=1S/C15H12ClFO3/c1-19-13-8-9(7-11(16)15(13)20-2)14(18)10-5-3-4-6-12(10)17/h3-8H,1-2H3
InChIKeyYYXFUABYFMOJKL-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
CID 26100957
(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone;(2-fluorophenyl)-(4-hydroxy-3-methoxy-5-nitrophenyl)methanone
CID 158356325
(3-amino-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone;(3,4-dimethoxy-5-nitrophenyl)-(2-fluorophenyl)methanone
CID 159731830
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate
CID 2242663
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053
(2-fluorophenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 15750347
(3-tert-butyl-4-methoxyphenyl)-(2-fluorophenyl)methanone
CID 82073359
(3-chloro-4,5-dimethoxyphenyl)-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38565027
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone (CID 62502800) is (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone is COc1cc(C(=O)c2ccccc2F)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone?
The InChIKey is YYXFUABYFMOJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-13-8-9(7-11(16)15(13)20-2)14(18)10-5-3-4-6-12(10)17/h3-8H,1-2H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone?
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone has a molecular weight of 294.71 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 62502800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).