3-methoxy-2-phenylinden-1-one

C16H12O2 — CID 528162

IUPAC3-methoxy-2-phenylinden-1-one
SMILESCOC1=C(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H12O2/c1-18-16-13-10-6-5-9-12(13)15(17)14(16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyKYDYZFPREQVUJP-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.40
Rot. Bonds2

About 3-methoxy-2-phenylinden-1-one

3-methoxy-2-phenylinden-1-one (PubChem CID 528162) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-methoxy-2-phenylinden-1-one.

Molecular Properties

Compound Name3-methoxy-2-phenylinden-1-one
PubChem CID528162
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name3-methoxy-2-phenylinden-1-one
SMILESCOC1=C(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C16H12O2/c1-18-16-13-10-6-5-9-12(13)15(17)14(16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyKYDYZFPREQVUJP-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.40
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 3-methoxy-2-phenylinden-1-one?
The IUPAC name of 3-methoxy-2-phenylinden-1-one (CID 528162) is 3-methoxy-2-phenylinden-1-one.
What is the SMILES notation for 3-methoxy-2-phenylinden-1-one?
The canonical SMILES for 3-methoxy-2-phenylinden-1-one is COC1=C(c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 3-methoxy-2-phenylinden-1-one?
The InChIKey is KYDYZFPREQVUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-18-16-13-10-6-5-9-12(13)15(17)14(16)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 3-methoxy-2-phenylinden-1-one?
3-methoxy-2-phenylinden-1-one has a molecular weight of 236.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylinden-1-one is sourced from PubChem (CID 528162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).