(2R)-1-(3,5-dimethylphenyl)propan-2-ol

C11H16O — CID 93461855

IUPAC(2R)-1-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(C[C@@H](C)O)c1
InChIInChI=1S/C11H16O/c1-8-4-9(2)6-11(5-8)7-10(3)12/h4-6,10,12H,7H2,1-3H3/t10-/m1/s1
InChIKeyJGKURXXWNXESAR-SNVBAGLBSA-N
MW164.25 g/mol
LogP2.23
Rot. Bonds2

About (2R)-1-(3,5-dimethylphenyl)propan-2-ol

(2R)-1-(3,5-dimethylphenyl)propan-2-ol (PubChem CID 93461855) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylphenyl)propan-2-ol
PubChem CID93461855
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2R)-1-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(C[C@@H](C)O)c1
InChIInChI=1S/C11H16O/c1-8-4-9(2)6-11(5-8)7-10(3)12/h4-6,10,12H,7H2,1-3H3/t10-/m1/s1
InChIKeyJGKURXXWNXESAR-SNVBAGLBSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
CID 63562396
(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928
1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
CID 64666954
2-bromo-1-(3,5-dimethylphenyl)-4-methylpentan-3-one
CID 62394990
3-methyl-5-(2-methylpropyl)aniline
CID 107579541
1,3-dimethyl-5-(2-methylpent-3-ynyl)benzene
CID 83922391
1-(3,5-dimethylphenyl)-3,4-dimethylpentan-2-amine
CID 115800723
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117297581

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylphenyl)propan-2-ol?
The IUPAC name of (2R)-1-(3,5-dimethylphenyl)propan-2-ol (CID 93461855) is (2R)-1-(3,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for (2R)-1-(3,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for (2R)-1-(3,5-dimethylphenyl)propan-2-ol is Cc1cc(C)cc(C[C@@H](C)O)c1.
What is the InChIKey of (2R)-1-(3,5-dimethylphenyl)propan-2-ol?
The InChIKey is JGKURXXWNXESAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16O/c1-8-4-9(2)6-11(5-8)7-10(3)12/h4-6,10,12H,7H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylphenyl)propan-2-ol?
(2R)-1-(3,5-dimethylphenyl)propan-2-ol has a molecular weight of 164.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 93461855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).