(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone

C12H8BrClO2 — CID 107096201

IUPAC(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H8BrClO2/c1-7-8(3-2-4-9(7)14)12(15)10-5-6-11(13)16-10/h2-6H,1H3
InChIKeyZCHJDSZSJLNEAI-UHFFFAOYSA-N
MW299.55 g/mol
LogP4.23
Rot. Bonds2

About (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone

(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone (PubChem CID 107096201) has the molecular formula C12H8BrClO2 and a molecular weight of 299.55 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
PubChem CID107096201
Molecular FormulaC12H8BrClO2
Molecular Weight299.55 g/mol
Exact Mass297.94
IUPAC Name(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
SMILESCc1c(Cl)cccc1C(=O)c1ccc(Br)o1
InChIInChI=1S/C12H8BrClO2/c1-7-8(3-2-4-9(7)14)12(15)10-5-6-11(13)16-10/h2-6H,1H3
InChIKeyZCHJDSZSJLNEAI-UHFFFAOYSA-N
XLogP4.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106860843
(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 106690970
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096238
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096198
(5-bromofuran-2-yl)-(4-chlorophenyl)methanone
CID 43462859
5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786922
(2-amino-5-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 25257909
(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 115792767
(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43462525
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096141

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone (CID 107096201) is (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone is Cc1c(Cl)cccc1C(=O)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone?
The InChIKey is ZCHJDSZSJLNEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO2/c1-7-8(3-2-4-9(7)14)12(15)10-5-6-11(13)16-10/h2-6H,1H3.
What are the key properties of (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone?
(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone has a molecular weight of 299.55 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 107096201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).