5-(1-hydroxypropyl)-2-methylphenol

C10H14O2 — CID 88978695

IUPAC5-(1-hydroxypropyl)-2-methylphenol
SMILESCCC(O)c1ccc(C)c(O)c1
InChIInChI=1S/C10H14O2/c1-3-9(11)8-5-4-7(2)10(12)6-8/h4-6,9,11-12H,3H2,1-2H3
InChIKeyWRRBCDDWJCIUAW-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.14
Rot. Bonds2

About 5-(1-hydroxypropyl)-2-methylphenol

5-(1-hydroxypropyl)-2-methylphenol (PubChem CID 88978695) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-(1-hydroxypropyl)-2-methylphenol.

Molecular Properties

Compound Name5-(1-hydroxypropyl)-2-methylphenol
PubChem CID88978695
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-(1-hydroxypropyl)-2-methylphenol
SMILESCCC(O)c1ccc(C)c(O)c1
InChIInChI=1S/C10H14O2/c1-3-9(11)8-5-4-7(2)10(12)6-8/h4-6,9,11-12H,3H2,1-2H3
InChIKeyWRRBCDDWJCIUAW-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-hydroxybutyl)-2-methylphenol
CID 88978694
2-methyl-5-pentan-2-ylphenol
CID 130033342
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
CID 57154315
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
propyl 2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetate
CID 22283713
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
1-(3,4-diethylphenyl)propan-1-ol
CID 115482676
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypropyl)-2-methylphenol?
The IUPAC name of 5-(1-hydroxypropyl)-2-methylphenol (CID 88978695) is 5-(1-hydroxypropyl)-2-methylphenol.
What is the SMILES notation for 5-(1-hydroxypropyl)-2-methylphenol?
The canonical SMILES for 5-(1-hydroxypropyl)-2-methylphenol is CCC(O)c1ccc(C)c(O)c1.
What is the InChIKey of 5-(1-hydroxypropyl)-2-methylphenol?
The InChIKey is WRRBCDDWJCIUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-9(11)8-5-4-7(2)10(12)6-8/h4-6,9,11-12H,3H2,1-2H3.
What are the key properties of 5-(1-hydroxypropyl)-2-methylphenol?
5-(1-hydroxypropyl)-2-methylphenol has a molecular weight of 166.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypropyl)-2-methylphenol is sourced from PubChem (CID 88978695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).