3-phenylchromen-4-one;phosphane

C15H13O2P — CID 174413449

IUPAC3-phenylchromen-4-one;phosphane
SMILESO=c1c(-c2ccccc2)coc2ccccc12.P
InChIInChI=1S/C15H10O2.H3P/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;/h1-10H;1H3
InChIKeyJOCIHZPPXKGSGF-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.52
Rot. Bonds1

About 3-phenylchromen-4-one;phosphane

3-phenylchromen-4-one;phosphane (PubChem CID 174413449) has the molecular formula C15H13O2P and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-phenylchromen-4-one;phosphane.

Molecular Properties

Compound Name3-phenylchromen-4-one;phosphane
PubChem CID174413449
Molecular FormulaC15H13O2P
Molecular Weight256.24 g/mol
Exact Mass256.07
IUPAC Name3-phenylchromen-4-one;phosphane
SMILESO=c1c(-c2ccccc2)coc2ccccc12.P
InChIInChI=1S/C15H10O2.H3P/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;/h1-10H;1H3
InChIKeyJOCIHZPPXKGSGF-UHFFFAOYSA-N
XLogP3.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylchromen-4-one;phosphane?
The IUPAC name of 3-phenylchromen-4-one;phosphane (CID 174413449) is 3-phenylchromen-4-one;phosphane.
What is the SMILES notation for 3-phenylchromen-4-one;phosphane?
The canonical SMILES for 3-phenylchromen-4-one;phosphane is O=c1c(-c2ccccc2)coc2ccccc12.P.
What is the InChIKey of 3-phenylchromen-4-one;phosphane?
The InChIKey is JOCIHZPPXKGSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2.H3P/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11;/h1-10H;1H3.
What are the key properties of 3-phenylchromen-4-one;phosphane?
3-phenylchromen-4-one;phosphane has a molecular weight of 256.24 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylchromen-4-one;phosphane is sourced from PubChem (CID 174413449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).