[dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate

C10H16O8P2 — CID 91135841

IUPAC[dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate
SMILESCOc1ccc(C(OP(=O)(O)O)P(=O)(OC)OC)cc1
InChIInChI=1S/C10H16O8P2/c1-15-9-6-4-8(5-7-9)10(18-20(12,13)14)19(11,16-2)17-3/h4-7,10H,1-3H3,(H2,12,13,14)
InChIKeyZCZQOYIYCPOBSM-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.29
Rot. Bonds7

About [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate

[dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate (PubChem CID 91135841) has the molecular formula C10H16O8P2 and a molecular weight of 326.18 g/mol. Its IUPAC name is [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate.

Molecular Properties

Compound Name[dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate
PubChem CID91135841
Molecular FormulaC10H16O8P2
Molecular Weight326.18 g/mol
Exact Mass326.03
IUPAC Name[dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate
SMILESCOc1ccc(C(OP(=O)(O)O)P(=O)(OC)OC)cc1
InChIInChI=1S/C10H16O8P2/c1-15-9-6-4-8(5-7-9)10(18-20(12,13)14)19(11,16-2)17-3/h4-7,10H,1-3H3,(H2,12,13,14)
InChIKeyZCZQOYIYCPOBSM-UHFFFAOYSA-N
XLogP2.29
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
CID 76958127
2-[dimethoxyphosphoryl-(4-methoxyphenyl)methoxy]-1,3,2-benzodioxaphosphole
CID 23280611
(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol
CID 101193123
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218
N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline
CID 3558398
[dimethoxyphosphoryl(phenyl)methyl] acetate
CID 10923196
(2R)-2-(4-methoxyphenyl)butanedioate
CID 6941687
[1-hydroxy-2-(6-methoxynaphthalen-2-yl)-1-phosphonopropyl]phosphonic acid
CID 13208998
N-[1-dimethoxyphosphoryl-2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 135086403
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
CID 175713586
CID 175713586
chloro-(4-methoxyphenyl)methanol
CID 130923369

Frequently Asked Questions

What is the IUPAC name of [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate?
The IUPAC name of [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate (CID 91135841) is [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate.
What is the SMILES notation for [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate?
The canonical SMILES for [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate is COc1ccc(C(OP(=O)(O)O)P(=O)(OC)OC)cc1.
What is the InChIKey of [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate?
The InChIKey is ZCZQOYIYCPOBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O8P2/c1-15-9-6-4-8(5-7-9)10(18-20(12,13)14)19(11,16-2)17-3/h4-7,10H,1-3H3,(H2,12,13,14).
What are the key properties of [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate?
[dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate has a molecular weight of 326.18 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxyphosphoryl-(4-methoxyphenyl)methyl] dihydrogen phosphate is sourced from PubChem (CID 91135841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).