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

C15H14BrClO — CID 81447481

IUPAC1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
SMILESCc1cc(C(O)Cc2ccccc2Cl)ccc1Br
InChIInChI=1S/C15H14BrClO/c1-10-8-12(6-7-13(10)16)15(18)9-11-4-2-3-5-14(11)17/h2-8,15,18H,9H2,1H3
InChIKeyAIJCGXQACJBZPD-UHFFFAOYSA-N
MW325.63 g/mol
LogP4.69
Rot. Bonds3

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

1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol (PubChem CID 81447481) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
PubChem CID81447481
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
SMILESCc1cc(C(O)Cc2ccccc2Cl)ccc1Br
InChIInChI=1S/C15H14BrClO/c1-10-8-12(6-7-13(10)16)15(18)9-11-4-2-3-5-14(11)17/h2-8,15,18H,9H2,1H3
InChIKeyAIJCGXQACJBZPD-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-(2-chlorophenyl)ethanol
CID 55151202
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 81446998
2-(2-chlorophenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 61081069
1-(4-bromo-3-methylphenyl)-2-phenylethanol
CID 81447483
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CID 107307685
2-(2-chlorophenyl)-1-naphthalen-2-ylethanol
CID 62715892
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 63156001
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-chloro-2-methylbenzene
CID 113397323

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol (CID 81447481) is 1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol is Cc1cc(C(O)Cc2ccccc2Cl)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol?
The InChIKey is AIJCGXQACJBZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-10-8-12(6-7-13(10)16)15(18)9-11-4-2-3-5-14(11)17/h2-8,15,18H,9H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol?
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol has a molecular weight of 325.63 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol is sourced from PubChem (CID 81447481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).