2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one

C20H21O7P — CID 66601082

IUPAC2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one
SMILESCCP(=O)(CC)COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C20H21O7P/c1-3-28(25,4-2)11-26-14-7-5-12(6-8-14)20-19(24)18(23)17-15(22)9-13(21)10-16(17)27-20/h5-10,21-22,24H,3-4,11H2,1-2H3
InChIKeyIWJMEZQDXQUEED-UHFFFAOYSA-N
MW404.36 g/mol
LogP4.32
Rot. Bonds6

About 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one

2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one (PubChem CID 66601082) has the molecular formula C20H21O7P and a molecular weight of 404.36 g/mol. Its IUPAC name is 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one.

Molecular Properties

Compound Name2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one
PubChem CID66601082
Molecular FormulaC20H21O7P
Molecular Weight404.36 g/mol
Exact Mass404.10
IUPAC Name2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one
SMILESCCP(=O)(CC)COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C20H21O7P/c1-3-28(25,4-2)11-26-14-7-5-12(6-8-14)20-19(24)18(23)17-15(22)9-13(21)10-16(17)27-20/h5-10,21-22,24H,3-4,11H2,1-2H3
InChIKeyIWJMEZQDXQUEED-UHFFFAOYSA-N
XLogP4.32
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;ethoxyethane
CID 89445279
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
cobalt;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 174557156
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one?
The IUPAC name of 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one (CID 66601082) is 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one.
What is the SMILES notation for 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one?
The canonical SMILES for 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one is CCP(=O)(CC)COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1.
What is the InChIKey of 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one?
The InChIKey is IWJMEZQDXQUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21O7P/c1-3-28(25,4-2)11-26-14-7-5-12(6-8-14)20-19(24)18(23)17-15(22)9-13(21)10-16(17)27-20/h5-10,21-22,24H,3-4,11H2,1-2H3.
What are the key properties of 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one?
2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one has a molecular weight of 404.36 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylphosphorylmethoxy)phenyl]-3,5,7-trihydroxychromen-4-one is sourced from PubChem (CID 66601082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).