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

C14H13ClOS — CID 103407438

IUPAC(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H13ClOS/c1-8-4-9(2)6-11(5-8)13(16)14-12(15)10(3)7-17-14/h4-7H,1-3H3
InChIKeyCVXRCTQOVBZXIC-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.56
Rot. Bonds2

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

(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone (PubChem CID 103407438) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
PubChem CID103407438
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2scc(C)c2Cl)c1
InChIInChI=1S/C14H13ClOS/c1-8-4-9(2)6-11(5-8)13(16)14-12(15)10(3)7-17-14/h4-7H,1-3H3
InChIKeyCVXRCTQOVBZXIC-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-4-methylthiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 103400367
(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 103400398
5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 103400340
(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone
CID 81323702
(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone
CID 103407440
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 103400344
(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone
CID 103408011
bis(3,5-dimethylphenyl)methanone
CID 15640171
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103526991
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 103400467

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone (CID 103407438) is (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2scc(C)c2Cl)c1.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone?
The InChIKey is CVXRCTQOVBZXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c1-8-4-9(2)6-11(5-8)13(16)14-12(15)10(3)7-17-14/h4-7H,1-3H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone?
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone has a molecular weight of 264.78 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 103407438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).