(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone

C15H12ClFO3 — CID 116809979

IUPAC(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H12ClFO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-7-6-9(16)8-11(10)17/h3-8H,1-2H3
InChIKeyAUBXYGCCAJAVSM-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.73
Rot. Bonds4

About (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone

(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone (PubChem CID 116809979) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
PubChem CID116809979
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H12ClFO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-7-6-9(16)8-11(10)17/h3-8H,1-2H3
InChIKeyAUBXYGCCAJAVSM-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

(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301430
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone (CID 116809979) is (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone?
The InChIKey is AUBXYGCCAJAVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-12-4-3-5-13(20-2)14(12)15(18)10-7-6-9(16)8-11(10)17/h3-8H,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone?
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)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 (4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 116809979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).