(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone

C15H15ClO3S — CID 103400398

IUPAC(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2scc(C)c2Cl)cc1OC
InChIInChI=1S/C15H15ClO3S/c1-8-5-11(18-3)12(19-4)6-10(8)14(17)15-13(16)9(2)7-20-15/h5-7H,1-4H3
InChIKeyBYPKGJIKRDOBOD-UHFFFAOYSA-N
MW310.80 g/mol
LogP4.27
Rot. Bonds4

About (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone

(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone (PubChem CID 103400398) has the molecular formula C15H15ClO3S and a molecular weight of 310.80 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone
PubChem CID103400398
Molecular FormulaC15H15ClO3S
Molecular Weight310.80 g/mol
Exact Mass310.04
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2scc(C)c2Cl)cc1OC
InChIInChI=1S/C15H15ClO3S/c1-8-5-11(18-3)12(19-4)6-10(8)14(17)15-13(16)9(2)7-20-15/h5-7H,1-4H3
InChIKeyBYPKGJIKRDOBOD-UHFFFAOYSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)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

(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
CID 103400471
(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone
CID 103408011
(3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone
CID 103407639
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81126532
(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 81160018
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 103400344

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone (CID 103400398) is (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone is COc1cc(C)c(C(=O)c2scc(C)c2Cl)cc1OC.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The InChIKey is BYPKGJIKRDOBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO3S/c1-8-5-11(18-3)12(19-4)6-10(8)14(17)15-13(16)9(2)7-20-15/h5-7H,1-4H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone?
(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone has a molecular weight of 310.80 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone is sourced from PubChem (CID 103400398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).