5-(1-hydroxybutyl)-2-methylphenol

C11H16O2 — CID 88978694

IUPAC5-(1-hydroxybutyl)-2-methylphenol
SMILESCCCC(O)c1ccc(C)c(O)c1
InChIInChI=1S/C11H16O2/c1-3-4-10(12)9-6-5-8(2)11(13)7-9/h5-7,10,12-13H,3-4H2,1-2H3
InChIKeyFIWYPDZUVQMQIT-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.53
Rot. Bonds3

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

5-(1-hydroxybutyl)-2-methylphenol (PubChem CID 88978694) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(1-hydroxybutyl)-2-methylphenol.

Molecular Properties

Compound Name5-(1-hydroxybutyl)-2-methylphenol
PubChem CID88978694
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-(1-hydroxybutyl)-2-methylphenol
SMILESCCCC(O)c1ccc(C)c(O)c1
InChIInChI=1S/C11H16O2/c1-3-4-10(12)9-6-5-8(2)11(13)7-9/h5-7,10,12-13H,3-4H2,1-2H3
InChIKeyFIWYPDZUVQMQIT-UHFFFAOYSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-hydroxypropyl)-2-methylphenol
CID 88978695
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
2-methyl-5-pentan-2-ylphenol
CID 130033342
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
propyl 2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetate
CID 22283713
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
(1S)-1-(4-chloro-3,5-dimethylphenyl)butan-1-ol
CID 97293385
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxybutyl)-2-methylphenol?
The IUPAC name of 5-(1-hydroxybutyl)-2-methylphenol (CID 88978694) is 5-(1-hydroxybutyl)-2-methylphenol.
What is the SMILES notation for 5-(1-hydroxybutyl)-2-methylphenol?
The canonical SMILES for 5-(1-hydroxybutyl)-2-methylphenol is CCCC(O)c1ccc(C)c(O)c1.
What is the InChIKey of 5-(1-hydroxybutyl)-2-methylphenol?
The InChIKey is FIWYPDZUVQMQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-4-10(12)9-6-5-8(2)11(13)7-9/h5-7,10,12-13H,3-4H2,1-2H3.
What are the key properties of 5-(1-hydroxybutyl)-2-methylphenol?
5-(1-hydroxybutyl)-2-methylphenol has a molecular weight of 180.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxybutyl)-2-methylphenol is sourced from PubChem (CID 88978694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).