5-methoxy-2-phenylchromen-7-one

C16H12O3 — CID 610735

IUPAC5-methoxy-2-phenylchromen-7-one
SMILESCOc1cc(=O)cc2oc(-c3ccccc3)ccc1-2
InChIInChI=1S/C16H12O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyVWNVDXRJGNLURQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.42
Rot. Bonds2

About 5-methoxy-2-phenylchromen-7-one

5-methoxy-2-phenylchromen-7-one (PubChem CID 610735) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-methoxy-2-phenylchromen-7-one.

Molecular Properties

Compound Name5-methoxy-2-phenylchromen-7-one
PubChem CID610735
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name5-methoxy-2-phenylchromen-7-one
SMILESCOc1cc(=O)cc2oc(-c3ccccc3)ccc1-2
InChIInChI=1S/C16H12O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyVWNVDXRJGNLURQ-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenylchromen-7-one?
The IUPAC name of 5-methoxy-2-phenylchromen-7-one (CID 610735) is 5-methoxy-2-phenylchromen-7-one.
What is the SMILES notation for 5-methoxy-2-phenylchromen-7-one?
The canonical SMILES for 5-methoxy-2-phenylchromen-7-one is COc1cc(=O)cc2oc(-c3ccccc3)ccc1-2.
What is the InChIKey of 5-methoxy-2-phenylchromen-7-one?
The InChIKey is VWNVDXRJGNLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 5-methoxy-2-phenylchromen-7-one?
5-methoxy-2-phenylchromen-7-one has a molecular weight of 252.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenylchromen-7-one is sourced from PubChem (CID 610735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).