4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde

C9H12O2 — CID 163514470

IUPAC4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCOC1=CC=C(C=O)C(C)C1
InChIInChI=1S/C9H12O2/c1-7-5-9(11-2)4-3-8(7)6-10/h3-4,6-7H,5H2,1-2H3
InChIKeyDFNGECVVCHYYMR-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.68
Rot. Bonds2

About 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde

4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 163514470) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID163514470
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCOC1=CC=C(C=O)C(C)C1
InChIInChI=1S/C9H12O2/c1-7-5-9(11-2)4-3-8(7)6-10/h3-4,6-7H,5H2,1-2H3
InChIKeyDFNGECVVCHYYMR-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde 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-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde (CID 163514470) is 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde is COC1=CC=C(C=O)C(C)C1.
What is the InChIKey of 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is DFNGECVVCHYYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7-5-9(11-2)4-3-8(7)6-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 163514470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).