6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol

C9H12O2 — CID 139816012

IUPAC6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=CC1(O)C1CO1
InChIInChI=1S/C9H12O2/c1-7-4-2-3-5-9(7,10)8-6-11-8/h2-5,7-8,10H,6H2,1H3
InChIKeyZBDUDPNFEOPXSD-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.88
Rot. Bonds1

About 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol

6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 139816012) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID139816012
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=CC1(O)C1CO1
InChIInChI=1S/C9H12O2/c1-7-4-2-3-5-9(7,10)8-6-11-8/h2-5,7-8,10H,6H2,1H3
InChIKeyZBDUDPNFEOPXSD-UHFFFAOYSA-N
XLogP0.88
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.88
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 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol (CID 139816012) is 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol is CC1C=CC=CC1(O)C1CO1.
What is the InChIKey of 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is ZBDUDPNFEOPXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7-4-2-3-5-9(7,10)8-6-11-8/h2-5,7-8,10H,6H2,1H3.
What are the key properties of 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol?
6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 152.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(oxiran-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139816012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).