2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol

C11H16O3 — CID 130034047

IUPAC2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
SMILESCC(C)CC(O)c1cc(O)ccc1O
InChIInChI=1S/C11H16O3/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11-14H,5H2,1-2H3
InChIKeyGMSMZHIKTSUHPI-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.18
Rot. Bonds3

About 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol

2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol (PubChem CID 130034047) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
PubChem CID130034047
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
SMILESCC(C)CC(O)c1cc(O)ccc1O
InChIInChI=1S/C11H16O3/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11-14H,5H2,1-2H3
InChIKeyGMSMZHIKTSUHPI-UHFFFAOYSA-N
XLogP2.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thymol
CID 6989
Tert-Butylhydroquinone
CID 16043
Salicyl Alcohol
CID 5146
Carvacrol
CID 10364
Nonylphenol
CID 67296
2,5-Di-tert-butylhydroquinone
CID 2374
Methylhydroquinone
CID 7253
CP 47497
CID 125835
Cannabicyclohexanol
CID 23986041
2,5-Di-t-pentylhydroquinone
CID 6610
3-Isopropylphenol
CID 12059
Phenylhydroquinone
CID 14116

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol?
The IUPAC name of 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol (CID 130034047) is 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol.
What is the SMILES notation for 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol?
The canonical SMILES for 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol is CC(C)CC(O)c1cc(O)ccc1O.
What is the InChIKey of 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol?
The InChIKey is GMSMZHIKTSUHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11-14H,5H2,1-2H3.
What are the key properties of 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol?
2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol has a molecular weight of 196.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol is sourced from PubChem (CID 130034047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).