(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone

C16H14ClFO3 — CID 81047587

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C16H14ClFO3/c1-9-7-10(11(17)8-12(9)18)16(19)15-13(20-2)5-4-6-14(15)21-3/h4-8H,1-3H3
InChIKeyPRGMRGMUCMOFST-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.04
Rot. Bonds4

About (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone

(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone (PubChem CID 81047587) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
PubChem CID81047587
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C16H14ClFO3/c1-9-7-10(11(17)8-12(9)18)16(19)15-13(20-2)5-4-6-14(15)21-3/h4-8H,1-3H3
InChIKeyPRGMRGMUCMOFST-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
CID 81045720
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone (CID 81047587) is (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)c1cc(C)c(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone?
The InChIKey is PRGMRGMUCMOFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-9-7-10(11(17)8-12(9)18)16(19)15-13(20-2)5-4-6-14(15)21-3/h4-8H,1-3H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone?
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone has a molecular weight of 308.74 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 81047587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).