(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone

C13H11BrO3S — CID 63797545

IUPAC(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2sccc2Br)c1
InChIInChI=1S/C13H11BrO3S/c1-16-8-3-4-11(17-2)9(7-8)12(15)13-10(14)5-6-18-13/h3-7H,1-2H3
InChIKeyNSOVWGDWRJRFIP-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.76
Rot. Bonds4

About (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone

(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone (PubChem CID 63797545) has the molecular formula C13H11BrO3S and a molecular weight of 327.20 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
PubChem CID63797545
Molecular FormulaC13H11BrO3S
Molecular Weight327.20 g/mol
Exact Mass325.96
IUPAC Name(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2sccc2Br)c1
InChIInChI=1S/C13H11BrO3S/c1-16-8-3-4-11(17-2)9(7-8)12(15)13-10(14)5-6-18-13/h3-7H,1-2H3
InChIKeyNSOVWGDWRJRFIP-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545
(2-amino-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanone
CID 80537146
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(3-bromothiophen-2-yl)-(4-methoxythiophen-2-yl)methanone
CID 81127058
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(2-amino-4-bromophenyl)-(2,5-dimethoxyphenyl)methanone
CID 116591846
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(3-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 80535211
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone (CID 63797545) is (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone is COc1ccc(OC)c(C(=O)c2sccc2Br)c1.
What is the InChIKey of (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone?
The InChIKey is NSOVWGDWRJRFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3S/c1-16-8-3-4-11(17-2)9(7-8)12(15)13-10(14)5-6-18-13/h3-7H,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone?
(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone has a molecular weight of 327.20 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 63797545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).