4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol

C8H10O3 — CID 88702579

IUPAC4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)(C2CO2)C=C1
InChIInChI=1S/C8H10O3/c9-6-1-3-8(10,4-2-6)7-5-11-7/h1-3,7,9-10H,4-5H2
InChIKeyBKEAHRLMGZHYCR-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.52
Rot. Bonds1

About 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol

4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol (PubChem CID 88702579) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol.

Molecular Properties

Compound Name4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol
PubChem CID88702579
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol
SMILESOC1=CCC(O)(C2CO2)C=C1
InChIInChI=1S/C8H10O3/c9-6-1-3-8(10,4-2-6)7-5-11-7/h1-3,7,9-10H,4-5H2
InChIKeyBKEAHRLMGZHYCR-UHFFFAOYSA-N
XLogP0.52
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-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

2-Allylcatechol
CID 69987121
o-Ethylguaiacol
CID 70477137
o-(2-Hydroxyethyl)guaiacol
CID 132278980
1-Prop-2-enylcyclohexa-3,5-diene-1,2,3-triol
CID 69191149
1-(1-Hydroxyethyl)cyclohexa-3,5-diene-1,3-diol
CID 70446481
1-(3-Methyloxiran-2-yl)cyclohexa-3,5-diene-1,3-diol
CID 88669125
2,6-Diethoxy-6-prop-2-enylcyclohexa-2,4-dien-1-ol
CID 89429073
1-(Oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol
CID 118902201
4-Prop-2-enylcyclohexa-2,6-diene-1,2,4,5-tetrol
CID 118913610
6-Methoxy-1-prop-2-enylcyclohexa-2,4-dien-1-ol
CID 129646224
6-Methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol
CID 139816012
1-Methyl-7-oxabicyclo[4.1.0]hepta-3,5-dien-2-ol
CID 141078454

Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol?
The IUPAC name of 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol (CID 88702579) is 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol.
What is the SMILES notation for 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol?
The canonical SMILES for 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol is OC1=CCC(O)(C2CO2)C=C1.
What is the InChIKey of 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol?
The InChIKey is BKEAHRLMGZHYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-1-3-8(10,4-2-6)7-5-11-7/h1-3,7,9-10H,4-5H2.
What are the key properties of 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol?
4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol has a molecular weight of 154.17 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)cyclohexa-1,5-diene-1,4-diol is sourced from PubChem (CID 88702579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).