(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone

C16H14ClFO2 — CID 115797667

IUPAC(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cccc(F)c2Cl)cc1C
InChIInChI=1S/C16H14ClFO2/c1-9-8-14(20-3)10(2)7-12(9)16(19)11-5-4-6-13(18)15(11)17/h4-8H,1-3H3
InChIKeyKHMACPJNFZROLQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.34
Rot. Bonds3

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

(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 115797667) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID115797667
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2cccc(F)c2Cl)cc1C
InChIInChI=1S/C16H14ClFO2/c1-9-8-14(20-3)10(2)7-12(9)16(19)11-5-4-6-13(18)15(11)17/h4-8H,1-3H3
InChIKeyKHMACPJNFZROLQ-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(2-chloro-3-fluorophenyl)-(5-chloro-2-methylphenyl)methanone
CID 146005923
(2-chloro-3-fluorophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 112694145
(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757184
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(2-chloro-3-fluorophenyl)-(4-chloro-3-methylphenyl)methanone
CID 146005889
(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 113370085
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of (2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone (CID 115797667) is (2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for (2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)c2cccc(F)c2Cl)cc1C.
What is the InChIKey of (2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is KHMACPJNFZROLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-9-8-14(20-3)10(2)7-12(9)16(19)11-5-4-6-13(18)15(11)17/h4-8H,1-3H3.
What are the key properties of (2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 292.74 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115797667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).