[5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate

C23H29O8P — CID 132557913

IUPAC[5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=C(Cc2ccc(OC)cc2)COc2cc(OC)cc(OC)c21
InChIInChI=1S/C23H29O8P/c1-6-29-32(24,30-7-2)31-23-17(12-16-8-10-18(25-3)11-9-16)15-28-21-14-19(26-4)13-20(27-5)22(21)23/h8-11,13-14H,6-7,12,15H2,1-5H3
InChIKeyYRESUEWVHPQHBV-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.26
Rot. Bonds11

About [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate

[5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate (PubChem CID 132557913) has the molecular formula C23H29O8P and a molecular weight of 464.45 g/mol. Its IUPAC name is [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate.

Molecular Properties

Compound Name[5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate
PubChem CID132557913
Molecular FormulaC23H29O8P
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name[5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=C(Cc2ccc(OC)cc2)COc2cc(OC)cc(OC)c21
InChIInChI=1S/C23H29O8P/c1-6-29-32(24,30-7-2)31-23-17(12-16-8-10-18(25-3)11-9-16)15-28-21-14-19(26-4)13-20(27-5)22(21)23/h8-11,13-14H,6-7,12,15H2,1-5H3
InChIKeyYRESUEWVHPQHBV-UHFFFAOYSA-N
XLogP5.26
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
diethyl [2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinylmethyl]phenyl] phosphate
CID 67103179
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene
CID 132501325
diethyl [2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfamoylmethyl]phenyl] phosphate
CID 69131035
(3,5-dimethoxyphenyl)methyl diethyl phosphate
CID 10828324
(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
CID 72946420
[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
1-[[ethoxy(ethyl)phosphoryl]oxymethyl]-4-methoxybenzene
CID 57117278
3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 142744862
1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189
5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol
CID 155755624

Frequently Asked Questions

What is the IUPAC name of [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate?
The IUPAC name of [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate (CID 132557913) is [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate.
What is the SMILES notation for [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate?
The canonical SMILES for [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate is CCOP(=O)(OCC)OC1=C(Cc2ccc(OC)cc2)COc2cc(OC)cc(OC)c21.
What is the InChIKey of [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate?
The InChIKey is YRESUEWVHPQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29O8P/c1-6-29-32(24,30-7-2)31-23-17(12-16-8-10-18(25-3)11-9-16)15-28-21-14-19(26-4)13-20(27-5)22(21)23/h8-11,13-14H,6-7,12,15H2,1-5H3.
What are the key properties of [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate?
[5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate has a molecular weight of 464.45 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-yl] diethyl phosphate is sourced from PubChem (CID 132557913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).