2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol

C13H20O2 — CID 59095256

IUPAC2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
SMILESCc1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C13H20O2/c1-9-6-10(12(2,3)14)8-11(7-9)13(4,5)15/h6-8,14-15H,1-5H3
InChIKeyKMULPTOIGDJONL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.45
Rot. Bonds2

About 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol

2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol (PubChem CID 59095256) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
PubChem CID59095256
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
SMILESCc1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C13H20O2/c1-9-6-10(12(2,3)14)8-11(7-9)13(4,5)15/h6-8,14-15H,1-5H3
InChIKeyKMULPTOIGDJONL-UHFFFAOYSA-N
XLogP2.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Cumene Hydroperoxide
CID 6629
p-Cymen-8-ol
CID 14529
3-Hydroxy-3-phenyl-1-butyne
CID 92098
1-Phenylcyclohexanol
CID 15319
1,1-Diphenylethanol
CID 69031
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol
CID 69933
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
2-Phenylbutan-2-ol
CID 15283
2,4,6-Trimethylbenzyl alcohol
CID 20139

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol?
The IUPAC name of 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol (CID 59095256) is 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol?
The canonical SMILES for 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol is Cc1cc(C(C)(C)O)cc(C(C)(C)O)c1.
What is the InChIKey of 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol?
The InChIKey is KMULPTOIGDJONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-6-10(12(2,3)14)8-11(7-9)13(4,5)15/h6-8,14-15H,1-5H3.
What are the key properties of 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol?
2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol is sourced from PubChem (CID 59095256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).