1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol

C16H13Br2ClO2 — CID 107947763

IUPAC1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cc(Br)cc2c1OCC2)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H13Br2ClO2/c17-12-3-9-1-2-21-16(9)11(5-12)7-15(20)10-4-13(18)8-14(19)6-10/h3-6,8,15,20H,1-2,7H2
InChIKeyNWYQMJVUEPPLJT-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.08
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol

1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol (PubChem CID 107947763) has the molecular formula C16H13Br2ClO2 and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
PubChem CID107947763
Molecular FormulaC16H13Br2ClO2
Molecular Weight432.54 g/mol
Exact Mass429.90
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cc(Br)cc2c1OCC2)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H13Br2ClO2/c17-12-3-9-1-2-21-16(9)11(5-12)7-15(20)10-4-13(18)8-14(19)6-10/h3-6,8,15,20H,1-2,7H2
InChIKeyNWYQMJVUEPPLJT-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol 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-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502934
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115830952
1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102829850
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
CID 115830926
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408228
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103217068
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115830773
1-(2-bromofuran-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 106859484
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethylpentane-2,3-diol
CID 103449362
1-(3-bromo-2-chlorophenyl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 115830807

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol (CID 107947763) is 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol is OC(Cc1cc(Br)cc2c1OCC2)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The InChIKey is NWYQMJVUEPPLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2ClO2/c17-12-3-9-1-2-21-16(9)11(5-12)7-15(20)10-4-13(18)8-14(19)6-10/h3-6,8,15,20H,1-2,7H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol has a molecular weight of 432.54 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol is sourced from PubChem (CID 107947763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).