7-methoxy-3-phenoxychromen-4-one

C16H12O4 — CID 746327

IUPAC7-methoxy-3-phenoxychromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccccc3)coc2c1
InChIInChI=1S/C16H12O4/c1-18-12-7-8-13-14(9-12)19-10-15(16(13)17)20-11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyZGTJGDONIKWWKA-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.59
Rot. Bonds3

About 7-methoxy-3-phenoxychromen-4-one

7-methoxy-3-phenoxychromen-4-one (PubChem CID 746327) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-methoxy-3-phenoxychromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-phenoxychromen-4-one
PubChem CID746327
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name7-methoxy-3-phenoxychromen-4-one
SMILESCOc1ccc2c(=O)c(Oc3ccccc3)coc2c1
InChIInChI=1S/C16H12O4/c1-18-12-7-8-13-14(9-12)19-10-15(16(13)17)20-11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyZGTJGDONIKWWKA-UHFFFAOYSA-N
XLogP3.59
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenoxychromen-4-one?
The IUPAC name of 7-methoxy-3-phenoxychromen-4-one (CID 746327) is 7-methoxy-3-phenoxychromen-4-one.
What is the SMILES notation for 7-methoxy-3-phenoxychromen-4-one?
The canonical SMILES for 7-methoxy-3-phenoxychromen-4-one is COc1ccc2c(=O)c(Oc3ccccc3)coc2c1.
What is the InChIKey of 7-methoxy-3-phenoxychromen-4-one?
The InChIKey is ZGTJGDONIKWWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-18-12-7-8-13-14(9-12)19-10-15(16(13)17)20-11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 7-methoxy-3-phenoxychromen-4-one?
7-methoxy-3-phenoxychromen-4-one has a molecular weight of 268.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenoxychromen-4-one is sourced from PubChem (CID 746327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).