(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone

C15H11ClF2O2 — CID 115781836

IUPAC(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)c(F)cc2F)ccc1Cl
InChIInChI=1S/C15H11ClF2O2/c1-8-5-10(13(18)7-12(8)17)15(19)9-3-4-11(16)14(6-9)20-2/h3-7H,1-2H3
InChIKeyWHHWFBCOKCOXSL-UHFFFAOYSA-N
MW296.70 g/mol
LogP4.17
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone

(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone (PubChem CID 115781836) has the molecular formula C15H11ClF2O2 and a molecular weight of 296.70 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
PubChem CID115781836
Molecular FormulaC15H11ClF2O2
Molecular Weight296.70 g/mol
Exact Mass296.04
IUPAC Name(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)c(F)cc2F)ccc1Cl
InChIInChI=1S/C15H11ClF2O2/c1-8-5-10(13(18)7-12(8)17)15(19)9-3-4-11(16)14(6-9)20-2/h3-7H,1-2H3
InChIKeyWHHWFBCOKCOXSL-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 115781775
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 116551045
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(4-chloro-3-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
CID 115781785

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone (CID 115781836) is (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone is COc1cc(C(=O)c2cc(C)c(F)cc2F)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
The InChIKey is WHHWFBCOKCOXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2/c1-8-5-10(13(18)7-12(8)17)15(19)9-3-4-11(16)14(6-9)20-2/h3-7H,1-2H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone?
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone has a molecular weight of 296.70 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone is sourced from PubChem (CID 115781836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).