(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone

C12H9BrO2S — CID 81127338

IUPAC(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrO2S/c1-15-10-6-7-16-12(10)11(14)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyBONXULZYUHWLFH-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.75
Rot. Bonds3

About (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone

(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81127338) has the molecular formula C12H9BrO2S and a molecular weight of 297.17 g/mol. Its IUPAC name is (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81127338
Molecular FormulaC12H9BrO2S
Molecular Weight297.17 g/mol
Exact Mass295.95
IUPAC Name(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrO2S/c1-15-10-6-7-16-12(10)11(14)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyBONXULZYUHWLFH-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
(3-methoxythiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 81126948
(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
4-methoxybenzoyl chloride;(4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone;3-methoxythiophene
CID 159868660
1-[4-(3-methoxythiophene-2-carbonyl)phenyl]pyrrolidin-2-one
CID 81121521
(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81126735

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone (CID 81127338) is (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is BONXULZYUHWLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2S/c1-15-10-6-7-16-12(10)11(14)8-2-4-9(13)5-3-8/h2-7H,1H3.
What are the key properties of (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone?
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 297.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).