7-(2-oxopropoxy)-4-phenylchromen-2-one

C18H14O4 — CID 886516

IUPAC7-(2-oxopropoxy)-4-phenylchromen-2-one
SMILESCC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C18H14O4/c1-12(19)11-21-14-7-8-15-16(13-5-3-2-4-6-13)10-18(20)22-17(15)9-14/h2-10H,11H2,1H3
InChIKeyJBALGFMLLIBPJV-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.43
Rot. Bonds4

About 7-(2-oxopropoxy)-4-phenylchromen-2-one

7-(2-oxopropoxy)-4-phenylchromen-2-one (PubChem CID 886516) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-(2-oxopropoxy)-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-(2-oxopropoxy)-4-phenylchromen-2-one
PubChem CID886516
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name7-(2-oxopropoxy)-4-phenylchromen-2-one
SMILESCC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C18H14O4/c1-12(19)11-21-14-7-8-15-16(13-5-3-2-4-6-13)10-18(20)22-17(15)9-14/h2-10H,11H2,1H3
InChIKeyJBALGFMLLIBPJV-UHFFFAOYSA-N
XLogP3.43
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-oxopropoxy)-4-phenylchromen-2-one?
The IUPAC name of 7-(2-oxopropoxy)-4-phenylchromen-2-one (CID 886516) is 7-(2-oxopropoxy)-4-phenylchromen-2-one.
What is the SMILES notation for 7-(2-oxopropoxy)-4-phenylchromen-2-one?
The canonical SMILES for 7-(2-oxopropoxy)-4-phenylchromen-2-one is CC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of 7-(2-oxopropoxy)-4-phenylchromen-2-one?
The InChIKey is JBALGFMLLIBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-12(19)11-21-14-7-8-15-16(13-5-3-2-4-6-13)10-18(20)22-17(15)9-14/h2-10H,11H2,1H3.
What are the key properties of 7-(2-oxopropoxy)-4-phenylchromen-2-one?
7-(2-oxopropoxy)-4-phenylchromen-2-one has a molecular weight of 294.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxopropoxy)-4-phenylchromen-2-one is sourced from PubChem (CID 886516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).