3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol

C12H16O3 — CID 174741450

IUPAC3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol
SMILESC=CC(O)C(CC)c1cccc(O)c1O
InChIInChI=1S/C12H16O3/c1-3-8(10(13)4-2)9-6-5-7-11(14)12(9)15/h4-8,10,13-15H,2-3H2,1H3
InChIKeyJRJDSIYLJYMURZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.14
Rot. Bonds4

About 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol

3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol (PubChem CID 174741450) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol
PubChem CID174741450
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol
SMILESC=CC(O)C(CC)c1cccc(O)c1O
InChIInChI=1S/C12H16O3/c1-3-8(10(13)4-2)9-6-5-7-11(14)12(9)15/h4-8,10,13-15H,2-3H2,1H3
InChIKeyJRJDSIYLJYMURZ-UHFFFAOYSA-N
XLogP2.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxypentan-3-yl)benzene-1,2-diol
CID 174450984
3-[(1R)-1-hydroxypropyl]benzene-1,2-diol
CID 11229010
3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
2-pent-1-en-3-ylphenol
CID 13031544
3-(dihydroxymethyl)benzene-1,2-diol
CID 22263395
3-(1-trimethylsilylpropyl)benzene-1,2-diol
CID 174652622
2-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
3-(1,4-dihydroxypentyl)benzene-1,2-diol
CID 18798728
3-(1-hydroxyprop-2-enyl)-2-prop-2-enylphenol
CID 70435602
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol?
The IUPAC name of 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol (CID 174741450) is 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol.
What is the SMILES notation for 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol?
The canonical SMILES for 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol is C=CC(O)C(CC)c1cccc(O)c1O.
What is the InChIKey of 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol?
The InChIKey is JRJDSIYLJYMURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-8(10(13)4-2)9-6-5-7-11(14)12(9)15/h4-8,10,13-15H,2-3H2,1H3.
What are the key properties of 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol?
3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol has a molecular weight of 208.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol is sourced from PubChem (CID 174741450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).