[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate

C19H26O8P2 — CID 123731391

IUPAC[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
SMILESCOP(=O)(OC)Oc1ccc(C(C)(C)c2ccc(OP(=O)(OC)OC)cc2)cc1
InChIInChI=1S/C19H26O8P2/c1-19(2,15-7-11-17(12-8-15)26-28(20,22-3)23-4)16-9-13-18(14-10-16)27-29(21,24-5)25-6/h7-14H,1-6H3
InChIKeyBEGKSZANKBFVSN-UHFFFAOYSA-N
MW444.36 g/mol
LogP5.57
Rot. Bonds10

About [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate

[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate (PubChem CID 123731391) has the molecular formula C19H26O8P2 and a molecular weight of 444.36 g/mol. Its IUPAC name is [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate.

Molecular Properties

Compound Name[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
PubChem CID123731391
Molecular FormulaC19H26O8P2
Molecular Weight444.36 g/mol
Exact Mass444.11
IUPAC Name[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate
SMILESCOP(=O)(OC)Oc1ccc(C(C)(C)c2ccc(OP(=O)(OC)OC)cc2)cc1
InChIInChI=1S/C19H26O8P2/c1-19(2,15-7-11-17(12-8-15)26-28(20,22-3)23-4)16-9-13-18(14-10-16)27-29(21,24-5)25-6/h7-14H,1-6H3
InChIKeyBEGKSZANKBFVSN-UHFFFAOYSA-N
XLogP5.57
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate 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

[4-[2-[4-[phenoxy(phenyl)phosphoryl]oxyphenyl]propan-2-yl]phenyl] diphenyl phosphate
CID 59385619
[4-[2-[4-bis(2,6-dimethylphenoxy)phosphoryloxyphenyl]propan-2-yl]phenyl] bis(2,6-dimethylphenyl) phosphate;ethane
CID 91386921
dimethyl (4-methylsulfanylphenyl) phosphate
CID 18621
(4-tert-butylphenyl) dichloro phosphate
CID 141025972
[4-[2-[4-[hydroxy-(4-methylphenoxy)phosphoryl]oxyphenyl]propan-2-yl]phenyl] (4-methylphenyl) hydrogen phosphate
CID 23106977
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
1-[2-[4-[tert-butyl(methyl)phosphoryl]oxyphenyl]propan-2-yl]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 69177598
tris[4-[2-[4-(prop-2-enoylamino)phenyl]propan-2-yl]phenyl] phosphate
CID 91029809
1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane
CID 168985818
[4-(2-amino-2-imino-1,1-diphenylethyl)phenyl] dimethyl phosphate
CID 154068458
(4-tert-butylphenoxy)-methylphosphinate
CID 2313159
N-[[4-[2-[4-bis[bis(prop-2-enyl)amino]phosphoryloxyphenyl]propan-2-yl]phenoxy]-[bis(prop-2-enyl)amino]phosphoryl]-N-prop-2-enylprop-2-en-1-amine
CID 102152569

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate?
The IUPAC name of [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate (CID 123731391) is [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate.
What is the SMILES notation for [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate?
The canonical SMILES for [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate is COP(=O)(OC)Oc1ccc(C(C)(C)c2ccc(OP(=O)(OC)OC)cc2)cc1.
What is the InChIKey of [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate?
The InChIKey is BEGKSZANKBFVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O8P2/c1-19(2,15-7-11-17(12-8-15)26-28(20,22-3)23-4)16-9-13-18(14-10-16)27-29(21,24-5)25-6/h7-14H,1-6H3.
What are the key properties of [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate?
[4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate has a molecular weight of 444.36 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-dimethoxyphosphoryloxyphenyl)propan-2-yl]phenyl] dimethyl phosphate is sourced from PubChem (CID 123731391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).