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

C12H18O — CID 69029171

IUPAC(2R)-4-methyl-4-phenylpentan-2-ol
SMILESC[C@@H](O)CC(C)(C)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-/m1/s1
InChIKeyNCYQVRNLBAYSLE-SNVBAGLBSA-N
MW178.28 g/mol
LogP2.74
Rot. Bonds3

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

(2R)-4-methyl-4-phenylpentan-2-ol (PubChem CID 69029171) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (2R)-4-methyl-4-phenylpentan-2-ol.

Molecular Properties

Compound Name(2R)-4-methyl-4-phenylpentan-2-ol
PubChem CID69029171
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(2R)-4-methyl-4-phenylpentan-2-ol
SMILESC[C@@H](O)CC(C)(C)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-/m1/s1
InChIKeyNCYQVRNLBAYSLE-SNVBAGLBSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-diphenylpentane-1,4-diol
CID 135025733
4-methyl-4-pyridin-3-ylpentan-2-ol
CID 64716407
2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one
CID 150218147
5-amino-4,4-diphenylpentan-2-ol
CID 24973034
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
1-(1,3-dihydroxy-1-phenylbutoxy)-1-phenylbutane-1,3-diol
CID 173407184
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
3-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]pentan-3-ol
CID 65105672
2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol
CID 69422386
N-ethyl-2,5-dimethyl-2,5-diphenylhexan-3-amine
CID 154638784

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-4-phenylpentan-2-ol?
The IUPAC name of (2R)-4-methyl-4-phenylpentan-2-ol (CID 69029171) is (2R)-4-methyl-4-phenylpentan-2-ol.
What is the SMILES notation for (2R)-4-methyl-4-phenylpentan-2-ol?
The canonical SMILES for (2R)-4-methyl-4-phenylpentan-2-ol is C[C@@H](O)CC(C)(C)c1ccccc1.
What is the InChIKey of (2R)-4-methyl-4-phenylpentan-2-ol?
The InChIKey is NCYQVRNLBAYSLE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-4-phenylpentan-2-ol?
(2R)-4-methyl-4-phenylpentan-2-ol has a molecular weight of 178.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-4-phenylpentan-2-ol is sourced from PubChem (CID 69029171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).