5-phenylchromen-2-one

C15H10O2 — CID 90255348

IUPAC5-phenylchromen-2-one
SMILESO=c1ccc2c(-c3ccccc3)cccc2o1
InChIInChI=1S/C15H10O2/c16-15-10-9-13-12(7-4-8-14(13)17-15)11-5-2-1-3-6-11/h1-10H
InChIKeyMVZNUIYSRBRWCO-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.46
Rot. Bonds1

About 5-phenylchromen-2-one

5-phenylchromen-2-one (PubChem CID 90255348) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-phenylchromen-2-one.

Molecular Properties

Compound Name5-phenylchromen-2-one
PubChem CID90255348
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name5-phenylchromen-2-one
SMILESO=c1ccc2c(-c3ccccc3)cccc2o1
InChIInChI=1S/C15H10O2/c16-15-10-9-13-12(7-4-8-14(13)17-15)11-5-2-1-3-6-11/h1-10H
InChIKeyMVZNUIYSRBRWCO-UHFFFAOYSA-N
XLogP3.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenylchromen-2-one?
The IUPAC name of 5-phenylchromen-2-one (CID 90255348) is 5-phenylchromen-2-one.
What is the SMILES notation for 5-phenylchromen-2-one?
The canonical SMILES for 5-phenylchromen-2-one is O=c1ccc2c(-c3ccccc3)cccc2o1.
What is the InChIKey of 5-phenylchromen-2-one?
The InChIKey is MVZNUIYSRBRWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-15-10-9-13-12(7-4-8-14(13)17-15)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 5-phenylchromen-2-one?
5-phenylchromen-2-one has a molecular weight of 222.24 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylchromen-2-one is sourced from PubChem (CID 90255348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).