(2S,3S)-3-methyl-4-phenylbutan-2-ol

C11H16O — CID 11194521

IUPAC(2S,3S)-3-methyl-4-phenylbutan-2-ol
SMILESC[C@H](O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C11H16O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyVSIXJPFQJMODCS-UWVGGRQHSA-N
MW164.25 g/mol
LogP2.25
Rot. Bonds3

About (2S,3S)-3-methyl-4-phenylbutan-2-ol

(2S,3S)-3-methyl-4-phenylbutan-2-ol (PubChem CID 11194521) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S,3S)-3-methyl-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-methyl-4-phenylbutan-2-ol
PubChem CID11194521
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2S,3S)-3-methyl-4-phenylbutan-2-ol
SMILESC[C@H](O)[C@@H](C)Cc1ccccc1
InChIInChI=1S/C11H16O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyVSIXJPFQJMODCS-UWVGGRQHSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
2,3-dimethylbutylbenzene
CID 12054035
3-fluoro-4-phenylbutan-2-ol
CID 105433789
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
2,2,4-trimethyl-1,5-diphenylpentan-3-ol
CID 139443987
2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol
CID 70499675
3-methyl-6-phenylhexan-2-ol
CID 54498182
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
(3-hydroxy-1-phenylbutan-2-yl)azanide;praseodymium;rubidium(1+)
CID 59894892
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842
1,1-diethoxy-3-methyl-4-phenylbutan-2-ol
CID 101485670

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-4-phenylbutan-2-ol?
The IUPAC name of (2S,3S)-3-methyl-4-phenylbutan-2-ol (CID 11194521) is (2S,3S)-3-methyl-4-phenylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-methyl-4-phenylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-methyl-4-phenylbutan-2-ol is C[C@H](O)[C@@H](C)Cc1ccccc1.
What is the InChIKey of (2S,3S)-3-methyl-4-phenylbutan-2-ol?
The InChIKey is VSIXJPFQJMODCS-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-4-phenylbutan-2-ol?
(2S,3S)-3-methyl-4-phenylbutan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-4-phenylbutan-2-ol is sourced from PubChem (CID 11194521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).