1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol

C9H12O2 — CID 118902201

IUPAC1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(CC2CO2)C=CC=CC1
InChIInChI=1S/C9H12O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h1-4,8,10H,5-7H2
InChIKeyZGSKXRRCCAGZGE-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.02
Rot. Bonds2

About 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol

1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 118902201) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol
PubChem CID118902201
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(CC2CO2)C=CC=CC1
InChIInChI=1S/C9H12O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h1-4,8,10H,5-7H2
InChIKeyZGSKXRRCCAGZGE-UHFFFAOYSA-N
XLogP1.02
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol (CID 118902201) is 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol is OC1(CC2CO2)C=CC=CC1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is ZGSKXRRCCAGZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h1-4,8,10H,5-7H2.
What are the key properties of 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol?
1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 152.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 118902201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).