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

C14H13ClO4S — CID 81126532

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(OC)c(OC)cc2Cl)c1
InChIInChI=1S/C14H13ClO4S/c1-17-8-4-13(20-7-8)14(16)9-5-11(18-2)12(19-3)6-10(9)15/h4-7H,1-3H3
InChIKeyCWHSNXJQEYJSAT-UHFFFAOYSA-N
MW312.77 g/mol
LogP3.66
Rot. Bonds5

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

(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone (PubChem CID 81126532) has the molecular formula C14H13ClO4S and a molecular weight of 312.77 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
PubChem CID81126532
Molecular FormulaC14H13ClO4S
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone
SMILESCOc1csc(C(=O)c2cc(OC)c(OC)cc2Cl)c1
InChIInChI=1S/C14H13ClO4S/c1-17-8-4-13(20-7-8)14(16)9-5-11(18-2)12(19-3)6-10(9)15/h4-7H,1-3H3
InChIKeyCWHSNXJQEYJSAT-UHFFFAOYSA-N
XLogP3.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 115483503
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107959921
(2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 81127133
(3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanone
CID 114963052
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
(6-chloro-1-methylindol-3-yl)-(4-methoxythiophen-2-yl)methanone
CID 116651031
(4-methoxythiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanone
CID 81127335
(3,4-dibromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81126729
(4-methoxythiophen-2-yl)-(4-methylphenyl)methanone
CID 81127341
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone (CID 81126532) is (2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone is COc1csc(C(=O)c2cc(OC)c(OC)cc2Cl)c1.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone?
The InChIKey is CWHSNXJQEYJSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO4S/c1-17-8-4-13(20-7-8)14(16)9-5-11(18-2)12(19-3)6-10(9)15/h4-7H,1-3H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone?
(2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone has a molecular weight of 312.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81126532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).