2-(2-hydroxybutoxy)phenol

C10H14O3 — CID 58593134

IUPAC2-(2-hydroxybutoxy)phenol
SMILESCCC(O)COc1ccccc1O
InChIInChI=1S/C10H14O3/c1-2-8(11)7-13-10-6-4-3-5-9(10)12/h3-6,8,11-12H,2,7H2,1H3
InChIKeyMNKZEACAHGQTGS-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.54
Rot. Bonds4

About 2-(2-hydroxybutoxy)phenol

2-(2-hydroxybutoxy)phenol (PubChem CID 58593134) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-hydroxybutoxy)phenol.

Molecular Properties

Compound Name2-(2-hydroxybutoxy)phenol
PubChem CID58593134
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(2-hydroxybutoxy)phenol
SMILESCCC(O)COc1ccccc1O
InChIInChI=1S/C10H14O3/c1-2-8(11)7-13-10-6-4-3-5-9(10)12/h3-6,8,11-12H,2,7H2,1H3
InChIKeyMNKZEACAHGQTGS-UHFFFAOYSA-N
XLogP1.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
2-[2-(aminomethyl)butoxy]phenol
CID 117241870
3-hydroxy-4-(2-hydroxyphenoxy)butanoic acid
CID 105465740
2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol
CID 117246123
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
2-(2-hydroxy-3-piperazin-1-ium-1-ylpropoxy)phenol
CID 145050902
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
2-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethoxy]phenol
CID 117238747
1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698659
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutoxy)phenol?
The IUPAC name of 2-(2-hydroxybutoxy)phenol (CID 58593134) is 2-(2-hydroxybutoxy)phenol.
What is the SMILES notation for 2-(2-hydroxybutoxy)phenol?
The canonical SMILES for 2-(2-hydroxybutoxy)phenol is CCC(O)COc1ccccc1O.
What is the InChIKey of 2-(2-hydroxybutoxy)phenol?
The InChIKey is MNKZEACAHGQTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-8(11)7-13-10-6-4-3-5-9(10)12/h3-6,8,11-12H,2,7H2,1H3.
What are the key properties of 2-(2-hydroxybutoxy)phenol?
2-(2-hydroxybutoxy)phenol has a molecular weight of 182.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutoxy)phenol is sourced from PubChem (CID 58593134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).