4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one

C20H18O2 — CID 10870008

IUPAC4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one
SMILESCOC1=CCCC(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C20H18O2/c1-22-18-14-8-13-17(21)19(15-9-4-2-5-10-15)20(18)16-11-6-3-7-12-16/h2-7,9-12,14H,8,13H2,1H3
InChIKeyZAKYIOCZBKKRTC-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.49
Rot. Bonds3

About 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one

4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one (PubChem CID 10870008) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one.

Molecular Properties

Compound Name4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one
PubChem CID10870008
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one
SMILESCOC1=CCCC(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C20H18O2/c1-22-18-14-8-13-17(21)19(15-9-4-2-5-10-15)20(18)16-11-6-3-7-12-16/h2-7,9-12,14H,8,13H2,1H3
InChIKeyZAKYIOCZBKKRTC-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one 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-2,3-diphenylcyclohepta-2,4-dien-1-one?
The IUPAC name of 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one (CID 10870008) is 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one.
What is the SMILES notation for 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one?
The canonical SMILES for 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one is COC1=CCCC(=O)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one?
The InChIKey is ZAKYIOCZBKKRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-22-18-14-8-13-17(21)19(15-9-4-2-5-10-15)20(18)16-11-6-3-7-12-16/h2-7,9-12,14H,8,13H2,1H3.
What are the key properties of 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one?
4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one has a molecular weight of 290.36 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-diphenylcyclohepta-2,4-dien-1-one is sourced from PubChem (CID 10870008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).