(4S)-2-methyl-4-phenylpentan-2-ol

C12H18O — CID 129361688

IUPAC(4S)-2-methyl-4-phenylpentan-2-ol
SMILESC[C@@H](CC(C)(C)O)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(9-12(2,3)13)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-/m0/s1
InChIKeyMVHKZRXHGKXNDP-JTQLQIEISA-N
MW178.28 g/mol
LogP2.95
Rot. Bonds3

About (4S)-2-methyl-4-phenylpentan-2-ol

(4S)-2-methyl-4-phenylpentan-2-ol (PubChem CID 129361688) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (4S)-2-methyl-4-phenylpentan-2-ol.

Molecular Properties

Compound Name(4S)-2-methyl-4-phenylpentan-2-ol
PubChem CID129361688
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(4S)-2-methyl-4-phenylpentan-2-ol
SMILESC[C@@H](CC(C)(C)O)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(9-12(2,3)13)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-/m0/s1
InChIKeyMVHKZRXHGKXNDP-JTQLQIEISA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(4-methylphenyl)pentan-2-ol
CID 11041610
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
2-methyl-5-phenylhexan-2-ol
CID 12716609
4-chloro-2-methyl-4-phenylbutan-2-ol
CID 174946431
2-methyl-4-phenyl-4-propan-2-yloxybutan-2-ol
CID 142601392
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
(4-methyl-4-methylsulfonylpentan-2-yl)benzene
CID 134582598
4-(2-aminophenyl)-2-methylpentan-2-ol
CID 155775432
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
CID 15518749

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-phenylpentan-2-ol?
The IUPAC name of (4S)-2-methyl-4-phenylpentan-2-ol (CID 129361688) is (4S)-2-methyl-4-phenylpentan-2-ol.
What is the SMILES notation for (4S)-2-methyl-4-phenylpentan-2-ol?
The canonical SMILES for (4S)-2-methyl-4-phenylpentan-2-ol is C[C@@H](CC(C)(C)O)c1ccccc1.
What is the InChIKey of (4S)-2-methyl-4-phenylpentan-2-ol?
The InChIKey is MVHKZRXHGKXNDP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18O/c1-10(9-12(2,3)13)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (4S)-2-methyl-4-phenylpentan-2-ol?
(4S)-2-methyl-4-phenylpentan-2-ol has a molecular weight of 178.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4-phenylpentan-2-ol is sourced from PubChem (CID 129361688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).