1-(3-bromo-5-methylphenyl)-1-phenylethanol

C15H15BrO — CID 171366314

IUPAC1-(3-bromo-5-methylphenyl)-1-phenylethanol
SMILESCc1cc(Br)cc(C(C)(O)c2ccccc2)c1
InChIInChI=1S/C15H15BrO/c1-11-8-13(10-14(16)9-11)15(2,17)12-6-4-3-5-7-12/h3-10,17H,1-2H3
InChIKeyHTAKAZUHFFTNHF-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.01
Rot. Bonds2

About 1-(3-bromo-5-methylphenyl)-1-phenylethanol

1-(3-bromo-5-methylphenyl)-1-phenylethanol (PubChem CID 171366314) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-1-phenylethanol.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-1-phenylethanol
PubChem CID171366314
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name1-(3-bromo-5-methylphenyl)-1-phenylethanol
SMILESCc1cc(Br)cc(C(C)(O)c2ccccc2)c1
InChIInChI=1S/C15H15BrO/c1-11-8-13(10-14(16)9-11)15(2,17)12-6-4-3-5-7-12/h3-10,17H,1-2H3
InChIKeyHTAKAZUHFFTNHF-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene
CID 176801252
1-(2-bromophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79690330
1-bromo-3-(2-chloropropan-2-yl)-5-methylbenzene
CID 159521418
2-(3-bromo-5-methylphenyl)propan-2-amine
CID 83710324
1-bromo-3-tert-butyl-5-methylbenzene;methoxymethane
CID 174322408
(2S)-2-amino-2-(3-bromo-5-methylphenyl)propanoic acid
CID 130618665
tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
1-(3-fluoro-5-methylphenyl)-1-(4-methylphenyl)ethanol
CID 79691276
1-(4-bromo-3-chlorophenyl)-1-phenylethanol
CID 66915599
1-(4-bromo-3-fluorophenyl)-1-phenylethanol
CID 66915422
1-[3-tert-butyl-5-(1-hydroxy-1-phenylethyl)phenyl]ethanone
CID 19601773

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-1-phenylethanol?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-1-phenylethanol (CID 171366314) is 1-(3-bromo-5-methylphenyl)-1-phenylethanol.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-1-phenylethanol?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-1-phenylethanol is Cc1cc(Br)cc(C(C)(O)c2ccccc2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-1-phenylethanol?
The InChIKey is HTAKAZUHFFTNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO/c1-11-8-13(10-14(16)9-11)15(2,17)12-6-4-3-5-7-12/h3-10,17H,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-1-phenylethanol?
1-(3-bromo-5-methylphenyl)-1-phenylethanol has a molecular weight of 291.19 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-1-phenylethanol is sourced from PubChem (CID 171366314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).