6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol

C10H14O3 — CID 89109409

IUPAC6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol
SMILESCOC1=CC(CC2CO2)CC=C1O
InChIInChI=1S/C10H14O3/c1-12-10-5-7(2-3-9(10)11)4-8-6-13-8/h3,5,7-8,11H,2,4,6H2,1H3
InChIKeyUNFNTGKVHHAQTG-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.77
Rot. Bonds3

About 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol

6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 89109409) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol
PubChem CID89109409
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol
SMILESCOC1=CC(CC2CO2)CC=C1O
InChIInChI=1S/C10H14O3/c1-12-10-5-7(2-3-9(10)11)4-8-6-13-8/h3,5,7-8,11H,2,4,6H2,1H3
InChIKeyUNFNTGKVHHAQTG-UHFFFAOYSA-N
XLogP1.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol (CID 89109409) is 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol is COC1=CC(CC2CO2)CC=C1O.
What is the InChIKey of 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is UNFNTGKVHHAQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-12-10-5-7(2-3-9(10)11)4-8-6-13-8/h3,5,7-8,11H,2,4,6H2,1H3.
What are the key properties of 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol?
6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 182.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(oxiran-2-ylmethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89109409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).