[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene

C14H24O6P2 — CID 14030878

IUPAC[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene
SMILESCOP(=O)(CC(Cc1ccccc1)CP(=O)(OC)OC)OC
InChIInChI=1S/C14H24O6P2/c1-17-21(15,18-2)11-14(12-22(16,19-3)20-4)10-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyPMJBSOCKVWFKRW-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.82
Rot. Bonds10

About [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene

[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene (PubChem CID 14030878) has the molecular formula C14H24O6P2 and a molecular weight of 350.29 g/mol. Its IUPAC name is [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene.

Molecular Properties

Compound Name[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene
PubChem CID14030878
Molecular FormulaC14H24O6P2
Molecular Weight350.29 g/mol
Exact Mass350.10
IUPAC Name[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene
SMILESCOP(=O)(CC(Cc1ccccc1)CP(=O)(OC)OC)OC
InChIInChI=1S/C14H24O6P2/c1-17-21(15,18-2)11-14(12-22(16,19-3)20-4)10-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3
InChIKeyPMJBSOCKVWFKRW-UHFFFAOYSA-N
XLogP3.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene 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

(1-dimethoxyphosphoryl-2-phenylethoxy)-trimethylsilane
CID 11347186
(2R,3S)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-phenylbutan-2-ol
CID 11190239
1-dimethoxyphosphoryl-2-phenylethanamine
CID 12504647
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
2-ethylbutylbenzene;methane
CID 158777195
1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine
CID 134929442
[(2S)-1-dimethoxyphosphoryl-5-phenylpentan-2-yl] acetate
CID 101164851
[2-(chloromethyl)-4-methoxybutyl]benzene
CID 66034058
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
CID 102595949
2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol
CID 15584229
2-[(1R)-2-dimethoxyphosphoryl-1-hydroxyethyl]phenol
CID 102595355
methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
CID 67831434

Frequently Asked Questions

What is the IUPAC name of [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene?
The IUPAC name of [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene (CID 14030878) is [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene.
What is the SMILES notation for [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene?
The canonical SMILES for [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene is COP(=O)(CC(Cc1ccccc1)CP(=O)(OC)OC)OC.
What is the InChIKey of [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene?
The InChIKey is PMJBSOCKVWFKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6P2/c1-17-21(15,18-2)11-14(12-22(16,19-3)20-4)10-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3.
What are the key properties of [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene?
[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene has a molecular weight of 350.29 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene is sourced from PubChem (CID 14030878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).