(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol

C15H15BrO — CID 164671387

IUPAC(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol
SMILESCc1cccc([C@](C)(O)c2ccccc2)c1Br
InChIInChI=1S/C15H15BrO/c1-11-7-6-10-13(14(11)16)15(2,17)12-8-4-3-5-9-12/h3-10,17H,1-2H3/t15-/m1/s1
InChIKeyQDHPQQPIIKLOBH-OAHLLOKOSA-N
MW291.19 g/mol
LogP4.01
Rot. Bonds2

About (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol

(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol (PubChem CID 164671387) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol.

Molecular Properties

Compound Name(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol
PubChem CID164671387
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol
SMILESCc1cccc([C@](C)(O)c2ccccc2)c1Br
InChIInChI=1S/C15H15BrO/c1-11-7-6-10-13(14(11)16)15(2,17)12-8-4-3-5-9-12/h3-10,17H,1-2H3/t15-/m1/s1
InChIKeyQDHPQQPIIKLOBH-OAHLLOKOSA-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

(1R)-1-(2-amino-3-methylphenyl)-1-phenylethanol
CID 164669380
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
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1-phenyl-1-(2,4,5-trimethylphenyl)ethanol
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(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
1-anthracen-1-yl-1-phenylethanol
CID 2793943
2-(1-hydroxy-1-phenylethyl)-5-methylbenzene-1,4-diol
CID 10562254
1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol
CID 62548527
[(2-bromo-3-methylphenyl)-difluoromethyl]phosphonic acid
CID 11652357
1-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802958
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
(2S)-1-azido-2-(2-bromo-3-methylphenyl)propan-2-ol
CID 118067635
1-(2-anilinophenyl)-1-phenylethanol
CID 70861869

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol?
The IUPAC name of (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol (CID 164671387) is (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol.
What is the SMILES notation for (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol?
The canonical SMILES for (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol is Cc1cccc([C@](C)(O)c2ccccc2)c1Br.
What is the InChIKey of (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol?
The InChIKey is QDHPQQPIIKLOBH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15BrO/c1-11-7-6-10-13(14(11)16)15(2,17)12-8-4-3-5-9-12/h3-10,17H,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol?
(1R)-1-(2-bromo-3-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 (1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol is sourced from PubChem (CID 164671387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).