3-(4-hydroxybutyl)phenol

C10H14O2 — CID 19991537

IUPAC3-(4-hydroxybutyl)phenol
SMILESOCCCCc1cccc(O)c1
InChIInChI=1S/C10H14O2/c11-7-2-1-4-9-5-3-6-10(12)8-9/h3,5-6,8,11-12H,1-2,4,7H2
InChIKeyJBRNMXJXXCHOBR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.71
Rot. Bonds4

About 3-(4-hydroxybutyl)phenol

3-(4-hydroxybutyl)phenol (PubChem CID 19991537) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)phenol.

Molecular Properties

Compound Name3-(4-hydroxybutyl)phenol
PubChem CID19991537
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-(4-hydroxybutyl)phenol
SMILESOCCCCc1cccc(O)c1
InChIInChI=1S/C10H14O2/c11-7-2-1-4-9-5-3-6-10(12)8-9/h3,5-6,8,11-12H,1-2,4,7H2
InChIKeyJBRNMXJXXCHOBR-UHFFFAOYSA-N
XLogP1.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-(4-iodobutyl)phenol
CID 174588102
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
3-(3-sulfanylpropyl)phenol
CID 57206434
2-(3-hydroxyphenyl)ethylboronic acid
CID 55255673
3-(2-hydroxyethyl)phenol;2-(3-methylphenyl)ethanol
CID 161002126
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
3-[3-(2-hydroxyethyl)phenyl]phenol
CID 11413238
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
3-nonadec-16-enylphenol
CID 85121272

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutyl)phenol?
The IUPAC name of 3-(4-hydroxybutyl)phenol (CID 19991537) is 3-(4-hydroxybutyl)phenol.
What is the SMILES notation for 3-(4-hydroxybutyl)phenol?
The canonical SMILES for 3-(4-hydroxybutyl)phenol is OCCCCc1cccc(O)c1.
What is the InChIKey of 3-(4-hydroxybutyl)phenol?
The InChIKey is JBRNMXJXXCHOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-7-2-1-4-9-5-3-6-10(12)8-9/h3,5-6,8,11-12H,1-2,4,7H2.
What are the key properties of 3-(4-hydroxybutyl)phenol?
3-(4-hydroxybutyl)phenol has a molecular weight of 166.22 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)phenol is sourced from PubChem (CID 19991537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).