7-methoxy-6-phenylchromen-2-one

C16H12O3 — CID 56594352

IUPAC7-methoxy-6-phenylchromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1-c1ccccc1
InChIInChI=1S/C16H12O3/c1-18-15-10-14-12(7-8-16(17)19-14)9-13(15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyMZZSWWWZSPRTIG-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds2

About 7-methoxy-6-phenylchromen-2-one

7-methoxy-6-phenylchromen-2-one (PubChem CID 56594352) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 7-methoxy-6-phenylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-6-phenylchromen-2-one
PubChem CID56594352
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name7-methoxy-6-phenylchromen-2-one
SMILESCOc1cc2oc(=O)ccc2cc1-c1ccccc1
InChIInChI=1S/C16H12O3/c1-18-15-10-14-12(7-8-16(17)19-14)9-13(15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyMZZSWWWZSPRTIG-UHFFFAOYSA-N
XLogP3.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.47
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-methoxy-6-phenylchromen-2-one?
The IUPAC name of 7-methoxy-6-phenylchromen-2-one (CID 56594352) is 7-methoxy-6-phenylchromen-2-one.
What is the SMILES notation for 7-methoxy-6-phenylchromen-2-one?
The canonical SMILES for 7-methoxy-6-phenylchromen-2-one is COc1cc2oc(=O)ccc2cc1-c1ccccc1.
What is the InChIKey of 7-methoxy-6-phenylchromen-2-one?
The InChIKey is MZZSWWWZSPRTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-15-10-14-12(7-8-16(17)19-14)9-13(15)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 7-methoxy-6-phenylchromen-2-one?
7-methoxy-6-phenylchromen-2-one has a molecular weight of 252.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-phenylchromen-2-one is sourced from PubChem (CID 56594352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).