2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol

C15H13BrCl2O — CID 115833929

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2ccc(Br)cc2Cl)c1Cl
InChIInChI=1S/C15H13BrCl2O/c1-9-3-2-4-12(15(9)18)14(19)7-10-5-6-11(16)8-13(10)17/h2-6,8,14,19H,7H2,1H3
InChIKeyMYXYUJOIVNBHEI-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.34
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol

2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol (PubChem CID 115833929) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
PubChem CID115833929
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2ccc(Br)cc2Cl)c1Cl
InChIInChI=1S/C15H13BrCl2O/c1-9-3-2-4-12(15(9)18)14(19)7-10-5-6-11(16)8-13(10)17/h2-6,8,14,19H,7H2,1H3
InChIKeyMYXYUJOIVNBHEI-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825
2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103323
2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105126709
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148464
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867541
1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 55187922
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106866364

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol (CID 115833929) is 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol is Cc1cccc(C(O)Cc2ccc(Br)cc2Cl)c1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol?
The InChIKey is MYXYUJOIVNBHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c1-9-3-2-4-12(15(9)18)14(19)7-10-5-6-11(16)8-13(10)17/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol?
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol has a molecular weight of 360.08 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol is sourced from PubChem (CID 115833929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).