1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol

C15H13Br2ClO2 — CID 115779442

IUPAC1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C15H13Br2ClO2/c1-20-14-6-5-9(7-12(14)17)8-13(19)10-3-2-4-11(16)15(10)18/h2-7,13,19H,8H2,1H3
InChIKeyZZVLYRFACROFLL-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.15
Rot. Bonds4

About 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol

1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol (PubChem CID 115779442) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
PubChem CID115779442
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C15H13Br2ClO2/c1-20-14-6-5-9(7-12(14)17)8-13(19)10-3-2-4-11(16)15(10)18/h2-7,13,19H,8H2,1H3
InChIKeyZZVLYRFACROFLL-UHFFFAOYSA-N
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)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-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 106645022
3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol
CID 79454756
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
3-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenyl)propan-1-ol
CID 79454053
1-(4-bromo-2-fluorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 63893179
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
CID 115779493
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216677
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol (CID 115779442) is 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2cccc(Br)c2Cl)cc1Br.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol?
The InChIKey is ZZVLYRFACROFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c1-20-14-6-5-9(7-12(14)17)8-13(19)10-3-2-4-11(16)15(10)18/h2-7,13,19H,8H2,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol?
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol has a molecular weight of 420.53 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol is sourced from PubChem (CID 115779442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).