1-(4-bromo-3-chlorophenyl)-1-phenylethanol

C14H12BrClO — CID 66915599

IUPAC1-(4-bromo-3-chlorophenyl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H12BrClO/c1-14(17,10-5-3-2-4-6-10)11-7-8-12(15)13(16)9-11/h2-9,17H,1H3
InChIKeySJECYCLNGLNLGY-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.36
Rot. Bonds2

About 1-(4-bromo-3-chlorophenyl)-1-phenylethanol

1-(4-bromo-3-chlorophenyl)-1-phenylethanol (PubChem CID 66915599) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-1-phenylethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-1-phenylethanol
PubChem CID66915599
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name1-(4-bromo-3-chlorophenyl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H12BrClO/c1-14(17,10-5-3-2-4-6-10)11-7-8-12(15)13(16)9-11/h2-9,17H,1H3
InChIKeySJECYCLNGLNLGY-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-fluorophenyl)-1-phenylethanol
CID 66915422
1-(4-bromophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 55187137
1-(4-chloro-3-methoxyphenyl)-1-phenylethanol
CID 79711700
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)propan-1-ol
CID 130721867
(1S)-1-(3,4-diaminophenyl)-1-phenylethanol
CID 124563063
1-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 55187138
1-(3-bromo-5-methylphenyl)-1-phenylethanol
CID 171366314
1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
1-(3-bromophenyl)-1-(4-propylphenyl)ethanol
CID 63406796
3-(4-bromo-3-chlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588809
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-phenylethanol?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-phenylethanol (CID 66915599) is 1-(4-bromo-3-chlorophenyl)-1-phenylethanol.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-1-phenylethanol?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-1-phenylethanol is CC(O)(c1ccccc1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-1-phenylethanol?
The InChIKey is SJECYCLNGLNLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c1-14(17,10-5-3-2-4-6-10)11-7-8-12(15)13(16)9-11/h2-9,17H,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-1-phenylethanol?
1-(4-bromo-3-chlorophenyl)-1-phenylethanol has a molecular weight of 311.61 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-1-phenylethanol is sourced from PubChem (CID 66915599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).