4-(3-hydroxybutyl)benzene-1,3-diol

C10H14O3 — CID 71768563

IUPAC4-(3-hydroxybutyl)benzene-1,3-diol
SMILESCC(O)CCc1ccc(O)cc1O
InChIInChI=1S/C10H14O3/c1-7(11)2-3-8-4-5-9(12)6-10(8)13/h4-7,11-13H,2-3H2,1H3
InChIKeyZNZTZXRPMRRQPX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.41
Rot. Bonds3

About 4-(3-hydroxybutyl)benzene-1,3-diol

4-(3-hydroxybutyl)benzene-1,3-diol (PubChem CID 71768563) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(3-hydroxybutyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(3-hydroxybutyl)benzene-1,3-diol
PubChem CID71768563
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-(3-hydroxybutyl)benzene-1,3-diol
SMILESCC(O)CCc1ccc(O)cc1O
InChIInChI=1S/C10H14O3/c1-7(11)2-3-8-4-5-9(12)6-10(8)13/h4-7,11-13H,2-3H2,1H3
InChIKeyZNZTZXRPMRRQPX-UHFFFAOYSA-N
XLogP1.41
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(13-methyltetradecyl)benzene-1,3-diol
CID 10268006
4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol
CID 150895447
4-[(4-hydroxypentylamino)methyl]benzene-1,3-diol
CID 107267932
CID 172851102
CID 172851102
3-fluoro-4-(3-methylbutyl)phenol
CID 59755829
4-bromo-2-(3-hydroxybutyl)phenol
CID 134275003
4-ethylbenzene-1,3-diol
CID 17927
4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol
CID 129383158
4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
CID 50988720
4-tricosylbenzene-1,3-diol
CID 101133990
4-[2-(methylamino)propyl]benzene-1,3-diol
CID 84732352
benzene-1,3-diol;4-[3,4-bis(2,4-dihydroxyphenyl)butyl]benzene-1,3-diol;propane
CID 157314444

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutyl)benzene-1,3-diol?
The IUPAC name of 4-(3-hydroxybutyl)benzene-1,3-diol (CID 71768563) is 4-(3-hydroxybutyl)benzene-1,3-diol.
What is the SMILES notation for 4-(3-hydroxybutyl)benzene-1,3-diol?
The canonical SMILES for 4-(3-hydroxybutyl)benzene-1,3-diol is CC(O)CCc1ccc(O)cc1O.
What is the InChIKey of 4-(3-hydroxybutyl)benzene-1,3-diol?
The InChIKey is ZNZTZXRPMRRQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(11)2-3-8-4-5-9(12)6-10(8)13/h4-7,11-13H,2-3H2,1H3.
What are the key properties of 4-(3-hydroxybutyl)benzene-1,3-diol?
4-(3-hydroxybutyl)benzene-1,3-diol has a molecular weight of 182.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutyl)benzene-1,3-diol is sourced from PubChem (CID 71768563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).