(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone

C18H14ClFOS — CID 157228955

IUPAC(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1ccc2c(Cl)c(C(=O)c3c(C)cc(F)cc3C)sc2c1
InChIInChI=1S/C18H14ClFOS/c1-9-4-5-13-14(6-9)22-18(16(13)19)17(21)15-10(2)7-12(20)8-11(15)3/h4-8H,1-3H3
InChIKeyTWXITDAIKJJNCZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.85
Rot. Bonds2

About (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone

(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone (PubChem CID 157228955) has the molecular formula C18H14ClFOS and a molecular weight of 332.83 g/mol. Its IUPAC name is (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone
PubChem CID157228955
Molecular FormulaC18H14ClFOS
Molecular Weight332.83 g/mol
Exact Mass332.04
IUPAC Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1ccc2c(Cl)c(C(=O)c3c(C)cc(F)cc3C)sc2c1
InChIInChI=1S/C18H14ClFOS/c1-9-4-5-13-14(6-9)22-18(16(13)19)17(21)15-10(2)7-12(20)8-11(15)3/h4-8H,1-3H3
InChIKeyTWXITDAIKJJNCZ-UHFFFAOYSA-N
XLogP5.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.83
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)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

1-Benzo[b]thiophen-3-yl-3-(4-chlorophenyl)prop-2-en-1-one
CID 5712227
1-(3-(p-Tolyl)-1-benzothiophene-2-yl)-2,2,2-trifluoroethanone
CID 132576563
1-(3-(m-Tolyl)-1-benzothiophene-2-yl)-2,2,2-trifluoroethanone
CID 132576564
1-(3-(4-Chlorophenyl)-1-benzothiophene-2-yl)-2,2,2-trifluoroethanone
CID 132576567
1-(3-Phenyl-5-chloro-1-benzothiophene-2-yl)-2,2,2-trifluoroethanone
CID 132576569
1-(3-(2-Naphthyl)-1-benzothiophene-2-yl)-2,2,2-trifluoroethanone
CID 132576572
1-(3-Phenyl-6-methyl-1-benzothiophene-2-yl)-2,2,2-trifluoroethanone
CID 132576574
1-(6-Chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone
CID 135036360
Ketone, p-chlorophenyl 2-dibenzothienyl
CID 28719
3-Chloro-6-methylbenzo(b)thiophene-2-carbonyl chloride
CID 12339862
3-Chloro-6-ethyl-1-benzothiophene-2-carbonyl chloride
CID 40570755
(E)-1-(1-benzothiophen-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 45104129

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone (CID 157228955) is (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone is Cc1ccc2c(Cl)c(C(=O)c3c(C)cc(F)cc3C)sc2c1.
What is the InChIKey of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The InChIKey is TWXITDAIKJJNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFOS/c1-9-4-5-13-14(6-9)22-18(16(13)19)17(21)15-10(2)7-12(20)8-11(15)3/h4-8H,1-3H3.
What are the key properties of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone?
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone has a molecular weight of 332.83 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 157228955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).