(2R)-1-(2,5-dimethylphenyl)butan-2-ol

C12H18O — CID 94208295

IUPAC(2R)-1-(2,5-dimethylphenyl)butan-2-ol
SMILESCC[C@@H](O)Cc1cc(C)ccc1C
InChIInChI=1S/C12H18O/c1-4-12(13)8-11-7-9(2)5-6-10(11)3/h5-7,12-13H,4,8H2,1-3H3/t12-/m1/s1
InChIKeyZIJRUMXIXDAINH-GFCCVEGCSA-N
MW178.28 g/mol
LogP2.62
Rot. Bonds3

About (2R)-1-(2,5-dimethylphenyl)butan-2-ol

(2R)-1-(2,5-dimethylphenyl)butan-2-ol (PubChem CID 94208295) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (2R)-1-(2,5-dimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,5-dimethylphenyl)butan-2-ol
PubChem CID94208295
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(2R)-1-(2,5-dimethylphenyl)butan-2-ol
SMILESCC[C@@H](O)Cc1cc(C)ccc1C
InChIInChI=1S/C12H18O/c1-4-12(13)8-11-7-9(2)5-6-10(11)3/h5-7,12-13H,4,8H2,1-3H3/t12-/m1/s1
InChIKeyZIJRUMXIXDAINH-GFCCVEGCSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
CID 63016045
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572
4-(2,5-dimethylphenyl)-3-hydroxybutanenitrile
CID 82075422
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
1-(2,5-dimethylphenyl)-3-methylsulfonylpropan-2-ol
CID 62472724
1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
CID 115830018
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135661
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
CID 79496432
1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
CID 65091903
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 66088143

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,5-dimethylphenyl)butan-2-ol?
The IUPAC name of (2R)-1-(2,5-dimethylphenyl)butan-2-ol (CID 94208295) is (2R)-1-(2,5-dimethylphenyl)butan-2-ol.
What is the SMILES notation for (2R)-1-(2,5-dimethylphenyl)butan-2-ol?
The canonical SMILES for (2R)-1-(2,5-dimethylphenyl)butan-2-ol is CC[C@@H](O)Cc1cc(C)ccc1C.
What is the InChIKey of (2R)-1-(2,5-dimethylphenyl)butan-2-ol?
The InChIKey is ZIJRUMXIXDAINH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O/c1-4-12(13)8-11-7-9(2)5-6-10(11)3/h5-7,12-13H,4,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-1-(2,5-dimethylphenyl)butan-2-ol?
(2R)-1-(2,5-dimethylphenyl)butan-2-ol has a molecular weight of 178.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,5-dimethylphenyl)butan-2-ol is sourced from PubChem (CID 94208295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).