(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol

C15H15BrO — CID 86333738

IUPAC(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H15BrO/c16-15-9-5-4-8-14(15)13(11-17)10-12-6-2-1-3-7-12/h1-9,13,17H,10-11H2/t13-/m1/s1
InChIKeyJQXZHORFBRGWQS-CYBMUJFWSA-N
MW291.19 g/mol
LogP3.77
Rot. Bonds4

About (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol

(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol (PubChem CID 86333738) has the molecular formula C15H15BrO and a molecular weight of 291.19 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
PubChem CID86333738
Molecular FormulaC15H15BrO
Molecular Weight291.19 g/mol
Exact Mass290.03
IUPAC Name(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
SMILESOC[C@@H](Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H15BrO/c16-15-9-5-4-8-14(15)13(11-17)10-12-6-2-1-3-7-12/h1-9,13,17H,10-11H2/t13-/m1/s1
InChIKeyJQXZHORFBRGWQS-CYBMUJFWSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 107895001
3-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)propan-1-ol
CID 79454756
2-(1-hydroxy-3-phenylpropan-2-yl)benzenediazonium chloride
CID 139215082
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
2-(2-bromophenyl)-4-phenylsulfanylbutan-1-ol
CID 79455210
1-bromo-2-[1-bromo-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79454411
2-(2-bromophenyl)-6-methylheptan-1-ol
CID 83168026
2-(2-bromophenyl)-4-tert-butylsulfonylbutan-1-ol
CID 106734419
1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 79454413
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
1-bromo-2-[1-(4-tert-butylphenyl)-3-chloropropan-2-yl]benzene
CID 79438087
1-bromo-2-[1-chloro-3-(3-chlorophenyl)propan-2-yl]benzene
CID 79454332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol (CID 86333738) is (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol is OC[C@@H](Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol?
The InChIKey is JQXZHORFBRGWQS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15BrO/c16-15-9-5-4-8-14(15)13(11-17)10-12-6-2-1-3-7-12/h1-9,13,17H,10-11H2/t13-/m1/s1.
What are the key properties of (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol?
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol has a molecular weight of 291.19 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 86333738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).