(3-bromophenyl)-thiophen-2-ylmethanone

C11H7BrOS — CID 5305254

IUPAC(3-bromophenyl)-thiophen-2-ylmethanone
SMILESO=C(c1cccc(Br)c1)c1cccs1
InChIInChI=1S/C11H7BrOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7H
InChIKeyRQQDVYVFIYKWNT-UHFFFAOYSA-N
MW267.15 g/mol
LogP3.74
Rot. Bonds2

About (3-bromophenyl)-thiophen-2-ylmethanone

(3-bromophenyl)-thiophen-2-ylmethanone (PubChem CID 5305254) has the molecular formula C11H7BrOS and a molecular weight of 267.15 g/mol. Its IUPAC name is (3-bromophenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-bromophenyl)-thiophen-2-ylmethanone
PubChem CID5305254
Molecular FormulaC11H7BrOS
Molecular Weight267.15 g/mol
Exact Mass265.94
IUPAC Name(3-bromophenyl)-thiophen-2-ylmethanone
SMILESO=C(c1cccc(Br)c1)c1cccs1
InChIInChI=1S/C11H7BrOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7H
InChIKeyRQQDVYVFIYKWNT-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
3-bromo-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324996
N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide
CID 21391750
(3-bromophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830603
[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
CID 131667569
[4-bromo-2-(trifluoromethyl)phenyl]-thiophen-2-ylmethanone
CID 62690339
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
CID 116613111
(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
CID 10831406
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
2-[2-bromo-4-(thiophene-2-carbonyl)phenoxy]butanoic acid
CID 54452091
N-[(3-bromophenyl)carbamothioyl]thiophene-2-carboxamide
CID 17099615

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-thiophen-2-ylmethanone?
The IUPAC name of (3-bromophenyl)-thiophen-2-ylmethanone (CID 5305254) is (3-bromophenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-bromophenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-bromophenyl)-thiophen-2-ylmethanone is O=C(c1cccc(Br)c1)c1cccs1.
What is the InChIKey of (3-bromophenyl)-thiophen-2-ylmethanone?
The InChIKey is RQQDVYVFIYKWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrOS/c12-9-4-1-3-8(7-9)11(13)10-5-2-6-14-10/h1-7H.
What are the key properties of (3-bromophenyl)-thiophen-2-ylmethanone?
(3-bromophenyl)-thiophen-2-ylmethanone has a molecular weight of 267.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 5305254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).