3-diphenylphosphoryl-7-phenylmethoxychromen-2-one

C28H21O4P — CID 177465411

IUPAC3-diphenylphosphoryl-7-phenylmethoxychromen-2-one
SMILESO=c1oc2cc(OCc3ccccc3)ccc2cc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21O4P/c29-28-27(33(30,24-12-6-2-7-13-24)25-14-8-3-9-15-25)18-22-16-17-23(19-26(22)32-28)31-20-21-10-4-1-5-11-21/h1-19H,20H2
InChIKeyFSLYMOWRUMKEBZ-UHFFFAOYSA-N
MW452.45 g/mol
LogP5.01
Rot. Bonds6

About 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one

3-diphenylphosphoryl-7-phenylmethoxychromen-2-one (PubChem CID 177465411) has the molecular formula C28H21O4P and a molecular weight of 452.45 g/mol. Its IUPAC name is 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name3-diphenylphosphoryl-7-phenylmethoxychromen-2-one
PubChem CID177465411
Molecular FormulaC28H21O4P
Molecular Weight452.45 g/mol
Exact Mass452.12
IUPAC Name3-diphenylphosphoryl-7-phenylmethoxychromen-2-one
SMILESO=c1oc2cc(OCc3ccccc3)ccc2cc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H21O4P/c29-28-27(33(30,24-12-6-2-7-13-24)25-14-8-3-9-15-25)18-22-16-17-23(19-26(22)32-28)31-20-21-10-4-1-5-11-21/h1-19H,20H2
InChIKeyFSLYMOWRUMKEBZ-UHFFFAOYSA-N
XLogP5.01
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 59816113
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CID 86086109
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CID 2062838
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
2-oxo-7-phenylmethoxy-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 175811083
2-oxo-6-phenylmethoxychromene-3-carbaldehyde
CID 135313712
7-[[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methoxy]chromen-2-one
CID 122180470
7-[(3,4-dichlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062848
2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol
CID 126736428
2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
CID 141293707
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
6-phenylmethoxy-1,3-benzoxathiol-2-one
CID 10682625

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one?
The IUPAC name of 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one (CID 177465411) is 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one?
The canonical SMILES for 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one is O=c1oc2cc(OCc3ccccc3)ccc2cc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one?
The InChIKey is FSLYMOWRUMKEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21O4P/c29-28-27(33(30,24-12-6-2-7-13-24)25-14-8-3-9-15-25)18-22-16-17-23(19-26(22)32-28)31-20-21-10-4-1-5-11-21/h1-19H,20H2.
What are the key properties of 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one?
3-diphenylphosphoryl-7-phenylmethoxychromen-2-one has a molecular weight of 452.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 177465411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).