(3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone

C17H12BrClO3 — CID 71512296

IUPAC(3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1oc2ccc(Cl)cc2c1C(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C17H12BrClO3/c1-2-14-16(11-8-10(19)4-6-15(11)22-14)17(21)9-3-5-13(20)12(18)7-9/h3-8,20H,2H2,1H3
InChIKeySAOBRRHKGNRWKX-UHFFFAOYSA-N
MW379.64 g/mol
LogP5.35
Rot. Bonds3

About (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone

(3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone (PubChem CID 71512296) has the molecular formula C17H12BrClO3 and a molecular weight of 379.64 g/mol. Its IUPAC name is (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone
PubChem CID71512296
Molecular FormulaC17H12BrClO3
Molecular Weight379.64 g/mol
Exact Mass377.97
IUPAC Name(3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone
SMILESCCc1oc2ccc(Cl)cc2c1C(=O)c1ccc(O)c(Br)c1
InChIInChI=1S/C17H12BrClO3/c1-2-14-16(11-8-10(19)4-6-15(11)22-14)17(21)9-3-5-13(20)12(18)7-9/h3-8,20H,2H2,1H3
InChIKeySAOBRRHKGNRWKX-UHFFFAOYSA-N
XLogP5.35
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.64
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-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

(5-bromo-2-ethyl-1-benzofuran-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 71512091
(4-bromo-3-fluorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 63498188
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone;molecular hydrogen
CID 158208246
(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260397
(6-bromo-2-ethyl-1-benzofuran-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 71512090
(3,5-dibromo-4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-(2-ethyl-6-hydroxy-1-benzofuran-3-yl)methanone
CID 169442050
(5-bromo-2-ethyl-1-benzofuran-3-yl)-pyridin-4-ylmethanone
CID 21489269
(3,5-dibromo-4-methylphenyl)-(4,7-dideuterio-2-ethyl-5,6-dihydroxy-1-benzofuran-3-yl)methanone
CID 167562014
4-(2-butyl-5-chloro-1-benzofuran-3-carbonyl)benzonitrile
CID 139937840
4-[(Z)-C-(5-chloro-2-ethyl-1-benzofuran-3-yl)-N-hydroxycarbonimidoyl]-2,6-diiodophenol
CID 170600576
(3-chloro-4-iodophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 103219720
[2,6-dibromo-4-[2,6-dibromo-4-(2-ethyl-1-benzofuran-3-carbonyl)phenoxy]carbonylphenyl] 3,5-dibromo-4-hydroxybenzoate
CID 169438137

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone (CID 71512296) is (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone is CCc1oc2ccc(Cl)cc2c1C(=O)c1ccc(O)c(Br)c1.
What is the InChIKey of (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone?
The InChIKey is SAOBRRHKGNRWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClO3/c1-2-14-16(11-8-10(19)4-6-15(11)22-14)17(21)9-3-5-13(20)12(18)7-9/h3-8,20H,2H2,1H3.
What are the key properties of (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone?
(3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone has a molecular weight of 379.64 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-hydroxyphenyl)-(5-chloro-2-ethyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 71512296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).