(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone

C14H13ClO2S — CID 115483503

IUPAC(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C14H13ClO2S/c1-8-4-11(12(15)5-9(8)2)14(16)13-6-10(17-3)7-18-13/h4-7H,1-3H3
InChIKeyOINKSEGECPRWMR-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.26
Rot. Bonds3

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

(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone (PubChem CID 115483503) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
PubChem CID115483503
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(C)c(C)cc2Cl)c1
InChIInChI=1S/C14H13ClO2S/c1-8-4-11(12(15)5-9(8)2)14(16)13-6-10(17-3)7-18-13/h4-7H,1-3H3
InChIKeyOINKSEGECPRWMR-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81126532
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone
CID 116651031
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729
(3-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115787659
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247
[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid
CID 172680009
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 115483522

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone (CID 115483503) is (2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2cc(C)c(C)cc2Cl)c1.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
The InChIKey is OINKSEGECPRWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-8-4-11(12(15)5-9(8)2)14(16)13-6-10(17-3)7-18-13/h4-7H,1-3H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone?
(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone has a molecular weight of 280.78 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 115483503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).