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

C16H14ClFO2 — CID 103432923

IUPAC(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)c2cccc(Cl)c2F)ccc(C)c1C
InChIInChI=1S/C16H14ClFO2/c1-9-7-8-12(16(20-3)10(9)2)15(19)11-5-4-6-13(17)14(11)18/h4-8H,1-3H3
InChIKeyUCQCEXYMLMKXCT-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.34
Rot. Bonds3

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

(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone (PubChem CID 103432923) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
PubChem CID103432923
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)c2cccc(Cl)c2F)ccc(C)c1C
InChIInChI=1S/C16H14ClFO2/c1-9-7-8-12(16(20-3)10(9)2)15(19)11-5-4-6-13(17)14(11)18/h4-8H,1-3H3
InChIKeyUCQCEXYMLMKXCT-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-fluoro-6-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432999
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
(3-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 64712749
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434981
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103433024
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149
2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
CID 103433037
(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107096188
bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone (CID 103432923) is (3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone is COc1c(C(=O)c2cccc(Cl)c2F)ccc(C)c1C.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The InChIKey is UCQCEXYMLMKXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-9-7-8-12(16(20-3)10(9)2)15(19)11-5-4-6-13(17)14(11)18/h4-8H,1-3H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone?
(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-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 (3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone is sourced from PubChem (CID 103432923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).