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

C12H18O — CID 94334052

IUPAC(2R)-2-(2,5-dimethylphenyl)butan-2-ol
SMILESCC[C@@](C)(O)c1cc(C)ccc1C
InChIInChI=1S/C12H18O/c1-5-12(4,13)11-8-9(2)6-7-10(11)3/h6-8,13H,5H2,1-4H3/t12-/m1/s1
InChIKeyZWOKKNCMEAWBMV-GFCCVEGCSA-N
MW178.27 g/mol
LogP2.92
Rot. Bonds2

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

(2R)-2-(2,5-dimethylphenyl)butan-2-ol (PubChem CID 94334052) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenyl)butan-2-ol
PubChem CID94334052
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(2R)-2-(2,5-dimethylphenyl)butan-2-ol
SMILESCC[C@@](C)(O)c1cc(C)ccc1C
InChIInChI=1S/C12H18O/c1-5-12(4,13)11-8-9(2)6-7-10(11)3/h6-8,13H,5H2,1-4H3/t12-/m1/s1
InChIKeyZWOKKNCMEAWBMV-GFCCVEGCSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(2,5-dimethylphenyl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol
CID 62773602
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65316614
2-(2,5-dimethylphenyl)-1-(methylamino)butan-2-ol
CID 82040151
1-(2-chloro-5-fluorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 102617180
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
2-(2,5-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744677
2-tert-butyl-1,4-dimethylbenzene;pentane
CID 142249583
2-[2-(2-hydroxybutan-2-yl)phenyl]butan-2-ol
CID 18356493
2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol
CID 79823757
1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65146932
2-(2,5-dimethylphenyl)-1-piperazin-1-ylpropan-2-ol
CID 82296659
2-(2,4,6-trimethylphenyl)butan-2-ol
CID 91656781

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenyl)butan-2-ol?
The IUPAC name of (2R)-2-(2,5-dimethylphenyl)butan-2-ol (CID 94334052) is (2R)-2-(2,5-dimethylphenyl)butan-2-ol.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenyl)butan-2-ol?
The canonical SMILES for (2R)-2-(2,5-dimethylphenyl)butan-2-ol is CC[C@@](C)(O)c1cc(C)ccc1C.
What is the InChIKey of (2R)-2-(2,5-dimethylphenyl)butan-2-ol?
The InChIKey is ZWOKKNCMEAWBMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18O/c1-5-12(4,13)11-8-9(2)6-7-10(11)3/h6-8,13H,5H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylphenyl)butan-2-ol?
(2R)-2-(2,5-dimethylphenyl)butan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenyl)butan-2-ol is sourced from PubChem (CID 94334052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).