4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol

C9H12O2 — CID 89091970

IUPAC4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol
SMILESC=C(OC)C1=CC=C(O)CC1
InChIInChI=1S/C9H12O2/c1-7(11-2)8-3-5-9(10)6-4-8/h3,5,10H,1,4,6H2,2H3
InChIKeyWPQXDKRLHBQKLO-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.31
Rot. Bonds2

About 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol

4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol (PubChem CID 89091970) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol
PubChem CID89091970
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol
SMILESC=C(OC)C1=CC=C(O)CC1
InChIInChI=1S/C9H12O2/c1-7(11-2)8-3-5-9(10)6-4-8/h3,5,10H,1,4,6H2,2H3
InChIKeyWPQXDKRLHBQKLO-UHFFFAOYSA-N
XLogP2.31
TPSA29.46 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol (CID 89091970) is 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol is C=C(OC)C1=CC=C(O)CC1.
What is the InChIKey of 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is WPQXDKRLHBQKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(11-2)8-3-5-9(10)6-4-8/h3,5,10H,1,4,6H2,2H3.
What are the key properties of 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol?
4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 152.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethenyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 89091970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).