(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone

C16H14ClFO2 — CID 106679955

IUPAC(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFO2/c1-9-6-10(2)15(14(7-9)20-3)16(19)11-4-5-13(18)12(17)8-11/h4-8H,1-3H3
InChIKeyDXNQUCONBKNVPV-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.34
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone

(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 106679955) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID106679955
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFO2/c1-9-6-10(2)15(14(7-9)20-3)16(19)11-4-5-13(18)12(17)8-11/h4-8H,1-3H3
InChIKeyDXNQUCONBKNVPV-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

(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
(2-bromo-4,6-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82873343
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 79773205
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone (CID 106679955) is (3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone is COc1cc(C)cc(C)c1C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is DXNQUCONBKNVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-9-6-10(2)15(14(7-9)20-3)16(19)11-4-5-13(18)12(17)8-11/h4-8H,1-3H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone?
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-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-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106679955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).