7-phenylmethoxychromen-2-one

C16H12O3 — CID 910172

IUPAC7-phenylmethoxychromen-2-one
SMILESO=c1ccc2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyQDLFCBKKECTJSK-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.37
Rot. Bonds3

About 7-phenylmethoxychromen-2-one

7-phenylmethoxychromen-2-one (PubChem CID 910172) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name7-phenylmethoxychromen-2-one
PubChem CID910172
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name7-phenylmethoxychromen-2-one
SMILESO=c1ccc2ccc(OCc3ccccc3)cc2o1
InChIInChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyQDLFCBKKECTJSK-UHFFFAOYSA-N
XLogP3.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxychromen-2-one?
The IUPAC name of 7-phenylmethoxychromen-2-one (CID 910172) is 7-phenylmethoxychromen-2-one.
What is the SMILES notation for 7-phenylmethoxychromen-2-one?
The canonical SMILES for 7-phenylmethoxychromen-2-one is O=c1ccc2ccc(OCc3ccccc3)cc2o1.
What is the InChIKey of 7-phenylmethoxychromen-2-one?
The InChIKey is QDLFCBKKECTJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 7-phenylmethoxychromen-2-one?
7-phenylmethoxychromen-2-one has a molecular weight of 252.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxychromen-2-one is sourced from PubChem (CID 910172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).