(2R)-2-(3-methylphenyl)pentan-2-ol

C12H18O — CID 93299051

IUPAC(2R)-2-(3-methylphenyl)pentan-2-ol
SMILESCCC[C@@](C)(O)c1cccc(C)c1
InChIInChI=1S/C12H18O/c1-4-8-12(3,13)11-7-5-6-10(2)9-11/h5-7,9,13H,4,8H2,1-3H3/t12-/m1/s1
InChIKeyFDXJDUJNNYYUKQ-GFCCVEGCSA-N
MW178.27 g/mol
LogP3.00
Rot. Bonds3

About (2R)-2-(3-methylphenyl)pentan-2-ol

(2R)-2-(3-methylphenyl)pentan-2-ol (PubChem CID 93299051) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (2R)-2-(3-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2R)-2-(3-methylphenyl)pentan-2-ol
PubChem CID93299051
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(2R)-2-(3-methylphenyl)pentan-2-ol
SMILESCCC[C@@](C)(O)c1cccc(C)c1
InChIInChI=1S/C12H18O/c1-4-8-12(3,13)11-7-5-6-10(2)9-11/h5-7,9,13H,4,8H2,1-3H3/t12-/m1/s1
InChIKeyFDXJDUJNNYYUKQ-GFCCVEGCSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
4-cyclopentyl-2-(3-methylphenyl)butan-2-ol
CID 114191689
(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol
CID 97294313
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
3-(2-hydroxyhexan-2-yl)phenol
CID 21280529
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
CID 18615291

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenyl)pentan-2-ol?
The IUPAC name of (2R)-2-(3-methylphenyl)pentan-2-ol (CID 93299051) is (2R)-2-(3-methylphenyl)pentan-2-ol.
What is the SMILES notation for (2R)-2-(3-methylphenyl)pentan-2-ol?
The canonical SMILES for (2R)-2-(3-methylphenyl)pentan-2-ol is CCC[C@@](C)(O)c1cccc(C)c1.
What is the InChIKey of (2R)-2-(3-methylphenyl)pentan-2-ol?
The InChIKey is FDXJDUJNNYYUKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O/c1-4-8-12(3,13)11-7-5-6-10(2)9-11/h5-7,9,13H,4,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenyl)pentan-2-ol?
(2R)-2-(3-methylphenyl)pentan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenyl)pentan-2-ol is sourced from PubChem (CID 93299051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).