(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone

C12H8BrClO3 — CID 106683749

IUPAC(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)o2)cc1Br
InChIInChI=1S/C12H8BrClO3/c1-16-9-3-2-7(6-8(9)13)12(15)10-4-5-11(14)17-10/h2-6H,1H3
InChIKeyPCFRIEKVSMLVMT-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.94
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone

(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone (PubChem CID 106683749) has the molecular formula C12H8BrClO3 and a molecular weight of 315.55 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
PubChem CID106683749
Molecular FormulaC12H8BrClO3
Molecular Weight315.55 g/mol
Exact Mass313.93
IUPAC Name(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)o2)cc1Br
InChIInChI=1S/C12H8BrClO3/c1-16-9-3-2-7(6-8(9)13)12(15)10-4-5-11(14)17-10/h2-6H,1H3
InChIKeyPCFRIEKVSMLVMT-UHFFFAOYSA-N
XLogP3.94
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)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

(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683799
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883
(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 104657187
(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 63750525
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463358

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone (CID 106683749) is (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone is COc1ccc(C(=O)c2ccc(Cl)o2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The InChIKey is PCFRIEKVSMLVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO3/c1-16-9-3-2-7(6-8(9)13)12(15)10-4-5-11(14)17-10/h2-6H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone?
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone has a molecular weight of 315.55 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone is sourced from PubChem (CID 106683749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).