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

C15H13Br2ClO — CID 107985833

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2ccc(Br)cc2Cl)c1Br
InChIInChI=1S/C15H13Br2ClO/c1-9-3-2-4-12(15(9)17)14(19)7-10-5-6-11(16)8-13(10)18/h2-6,8,14,19H,7H2,1H3
InChIKeyZNIYVRNOXRALHW-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.45
Rot. Bonds3

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

2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol (PubChem CID 107985833) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
PubChem CID107985833
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
SMILESCc1cccc(C(O)Cc2ccc(Br)cc2Cl)c1Br
InChIInChI=1S/C15H13Br2ClO/c1-9-3-2-4-12(15(9)17)14(19)7-10-5-6-11(16)8-13(10)18/h2-6,8,14,19H,7H2,1H3
InChIKeyZNIYVRNOXRALHW-UHFFFAOYSA-N
XLogP5.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845
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
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-bromo-3-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 107983842
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol (CID 107985833) is 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol is Cc1cccc(C(O)Cc2ccc(Br)cc2Cl)c1Br.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol?
The InChIKey is ZNIYVRNOXRALHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-9-3-2-4-12(15(9)17)14(19)7-10-5-6-11(16)8-13(10)18/h2-6,8,14,19H,7H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol?
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol has a molecular weight of 404.53 g/mol, XLogP of 5.45, 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-bromo-3-methylphenyl)ethanol is sourced from PubChem (CID 107985833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).