3-diethoxyphosphoryl-4-phenylchromen-2-one

C19H19O5P — CID 102142153

IUPAC3-diethoxyphosphoryl-4-phenylchromen-2-one
SMILESCCOP(=O)(OCC)c1c(-c2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C19H19O5P/c1-3-22-25(21,23-4-2)18-17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)24-19(18)20/h5-13H,3-4H2,1-2H3
InChIKeyBACGFBRHDMTXNT-UHFFFAOYSA-N
MW358.33 g/mol
LogP4.35
Rot. Bonds6

About 3-diethoxyphosphoryl-4-phenylchromen-2-one

3-diethoxyphosphoryl-4-phenylchromen-2-one (PubChem CID 102142153) has the molecular formula C19H19O5P and a molecular weight of 358.33 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-4-phenylchromen-2-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-4-phenylchromen-2-one
PubChem CID102142153
Molecular FormulaC19H19O5P
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Name3-diethoxyphosphoryl-4-phenylchromen-2-one
SMILESCCOP(=O)(OCC)c1c(-c2ccccc2)c2ccccc2oc1=O
InChIInChI=1S/C19H19O5P/c1-3-22-25(21,23-4-2)18-17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)24-19(18)20/h5-13H,3-4H2,1-2H3
InChIKeyBACGFBRHDMTXNT-UHFFFAOYSA-N
XLogP4.35
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-3-diethoxyphosphorylchromen-4-one
CID 57384942
3-phenyl-4-(2H-triazol-4-yl)chromen-2-one
CID 154181703
3-ethenyl-4-phenylchromen-2-one
CID 24787269
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
3-diethoxyphosphorylchromen-2-one
CID 11323513
3-acetyl-4-phenylchromen-2-one
CID 56965161
6-ethyl-11-phenylindeno[1,2-c]chromene
CID 135026669
2-diethoxyphosphoryl-1-methoxy-4-methyl-3-phenylbenzene
CID 58067281
3,4-diethoxychromen-2-one
CID 90255816
4-amino-3-phenylchromen-2-one
CID 617040
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
3-phenyl-4-phenylmethoxychromen-2-one
CID 70697167

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-4-phenylchromen-2-one?
The IUPAC name of 3-diethoxyphosphoryl-4-phenylchromen-2-one (CID 102142153) is 3-diethoxyphosphoryl-4-phenylchromen-2-one.
What is the SMILES notation for 3-diethoxyphosphoryl-4-phenylchromen-2-one?
The canonical SMILES for 3-diethoxyphosphoryl-4-phenylchromen-2-one is CCOP(=O)(OCC)c1c(-c2ccccc2)c2ccccc2oc1=O.
What is the InChIKey of 3-diethoxyphosphoryl-4-phenylchromen-2-one?
The InChIKey is BACGFBRHDMTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19O5P/c1-3-22-25(21,23-4-2)18-17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)24-19(18)20/h5-13H,3-4H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-4-phenylchromen-2-one?
3-diethoxyphosphoryl-4-phenylchromen-2-one has a molecular weight of 358.33 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-4-phenylchromen-2-one is sourced from PubChem (CID 102142153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).