2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol

C11H14O3 — CID 130034598

IUPAC2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol
SMILESC=C(C)CC(O)c1cc(O)ccc1O
InChIInChI=1S/C11H14O3/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6,11-14H,1,5H2,2H3
InChIKeyQXSFTXZCENCUMA-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.10
Rot. Bonds3

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

2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol (PubChem CID 130034598) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol
PubChem CID130034598
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol
SMILESC=C(C)CC(O)c1cc(O)ccc1O
InChIInChI=1S/C11H14O3/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6,11-14H,1,5H2,2H3
InChIKeyQXSFTXZCENCUMA-UHFFFAOYSA-N
XLogP2.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-2-amino-1-hydroxyethyl]benzene-1,4-diol
CID 54487924
2-(1-hydroxy-3-methylbutyl)benzene-1,4-diol
CID 130034047
2-(2-methylprop-2-enyl)benzene-1,4-diol
CID 19744956
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
3-[(1R)-1-amino-3-methylbut-3-enyl]-4-bromophenol;hydrochloride
CID 171203537
2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol
CID 10611352
1-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-1-ol
CID 79177590
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-[(1R,2S)-1-amino-2-hydroxybutyl]benzene-1,4-diol
CID 131036322
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol
CID 23019019

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol?
The IUPAC name of 2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol (CID 130034598) is 2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol.
What is the SMILES notation for 2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol?
The canonical SMILES for 2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol is C=C(C)CC(O)c1cc(O)ccc1O.
What is the InChIKey of 2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol?
The InChIKey is QXSFTXZCENCUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6,11-14H,1,5H2,2H3.
What are the key properties of 2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol?
2-(1-hydroxy-3-methylbut-3-enyl)benzene-1,4-diol has a molecular weight of 194.23 g/mol, XLogP of 2.10, 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-methylbut-3-enyl)benzene-1,4-diol is sourced from PubChem (CID 130034598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).