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

C18H14O2 — CID 14226957

IUPAC4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one
SMILESCOC1=CC(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H14O2/c1-20-16-12-15(19)17(13-8-4-2-5-9-13)18(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyFSZHPHOPQLVMQR-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.71
Rot. Bonds3

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

4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one (PubChem CID 14226957) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one
PubChem CID14226957
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one
SMILESCOC1=CC(=O)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C18H14O2/c1-20-16-12-15(19)17(13-8-4-2-5-9-13)18(16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyFSZHPHOPQLVMQR-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one (CID 14226957) is 4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one is COC1=CC(=O)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one?
The InChIKey is FSZHPHOPQLVMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-20-16-12-15(19)17(13-8-4-2-5-9-13)18(16)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one?
4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.71, 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-diphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 14226957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).