5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol

C10H14O2 — CID 130678232

IUPAC5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
SMILESCc1ccc([C@@H](C)CO)cc1O
InChIInChI=1S/C10H14O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3-5,8,11-12H,6H2,1-2H3/t8-/m0/s1
InChIKeyVHOPRFFVGRPDLW-QMMMGPOBSA-N
MW166.22 g/mol
LogP1.80
Rot. Bonds2

About 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol

5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol (PubChem CID 130678232) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
PubChem CID130678232
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
SMILESCc1ccc([C@@H](C)CO)cc1O
InChIInChI=1S/C10H14O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3-5,8,11-12H,6H2,1-2H3/t8-/m0/s1
InChIKeyVHOPRFFVGRPDLW-QMMMGPOBSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol 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

2-methyl-5-pentan-2-ylphenol
CID 130033342
2-methyl-5-[(2R)-6-methylheptan-2-yl]phenol
CID 71369401
2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol
CID 117286493
6-(3-hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
CID 15858385
5-(1-hydroxypropyl)-2-methylphenol
CID 88978695
2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117284776
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
2-(3-methylphenyl)propan-1-ol
CID 21478686
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
5-(1-hydroxybutyl)-2-methylphenol
CID 88978694
5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol
CID 117290732
5-[1-[(2,6-dimethyl-3-pyridinyl)amino]propan-2-yl]-2-methylphenol
CID 59073560

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol?
The IUPAC name of 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol (CID 130678232) is 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol.
What is the SMILES notation for 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol?
The canonical SMILES for 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol is Cc1ccc([C@@H](C)CO)cc1O.
What is the InChIKey of 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol?
The InChIKey is VHOPRFFVGRPDLW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3-5,8,11-12H,6H2,1-2H3/t8-/m0/s1.
What are the key properties of 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol?
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol has a molecular weight of 166.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol is sourced from PubChem (CID 130678232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).