3,3-bis(dimethoxyphosphoryl)propoxybenzene

C13H22O7P2 — CID 10215479

IUPAC3,3-bis(dimethoxyphosphoryl)propoxybenzene
SMILESCOP(=O)(OC)C(CCOc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C13H22O7P2/c1-16-21(14,17-2)13(22(15,18-3)19-4)10-11-20-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChIKeyCRGQUXMDFWUZDE-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.75
Rot. Bonds10

About 3,3-bis(dimethoxyphosphoryl)propoxybenzene

3,3-bis(dimethoxyphosphoryl)propoxybenzene (PubChem CID 10215479) has the molecular formula C13H22O7P2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 3,3-bis(dimethoxyphosphoryl)propoxybenzene.

Molecular Properties

Compound Name3,3-bis(dimethoxyphosphoryl)propoxybenzene
PubChem CID10215479
Molecular FormulaC13H22O7P2
Molecular Weight352.26 g/mol
Exact Mass352.08
IUPAC Name3,3-bis(dimethoxyphosphoryl)propoxybenzene
SMILESCOP(=O)(OC)C(CCOc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C13H22O7P2/c1-16-21(14,17-2)13(22(15,18-3)19-4)10-11-20-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChIKeyCRGQUXMDFWUZDE-UHFFFAOYSA-N
XLogP3.75
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzyl-dimethyl-(2-phenoxyethyl)phosphanium
CID 126733659
1,5-diphenoxypentan-3-ol
CID 5314309
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
3-methoxy-2-methylidene-5-phenoxypentanoic acid
CID 175225131
(1-chloro-3-phenoxypropan-2-yl) dimethyl phosphate
CID 10803784
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
(3R)-1-phenoxyhexan-3-ol
CID 102063151
1-methoxy-5-phenoxypentan-3-one
CID 114998471
4-phenoxybutan-2-yl carbamate
CID 175408222
4-methoxy-2-(phenoxymethyl)butanoic acid
CID 117236995
2-methoxyethoxy(3-phenoxypropyl)phosphinic acid
CID 139679827
propan-2-yl 2-methyl-4-phenoxybutanoate
CID 174931468

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(dimethoxyphosphoryl)propoxybenzene?
The IUPAC name of 3,3-bis(dimethoxyphosphoryl)propoxybenzene (CID 10215479) is 3,3-bis(dimethoxyphosphoryl)propoxybenzene.
What is the SMILES notation for 3,3-bis(dimethoxyphosphoryl)propoxybenzene?
The canonical SMILES for 3,3-bis(dimethoxyphosphoryl)propoxybenzene is COP(=O)(OC)C(CCOc1ccccc1)P(=O)(OC)OC.
What is the InChIKey of 3,3-bis(dimethoxyphosphoryl)propoxybenzene?
The InChIKey is CRGQUXMDFWUZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O7P2/c1-16-21(14,17-2)13(22(15,18-3)19-4)10-11-20-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3.
What are the key properties of 3,3-bis(dimethoxyphosphoryl)propoxybenzene?
3,3-bis(dimethoxyphosphoryl)propoxybenzene has a molecular weight of 352.26 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(dimethoxyphosphoryl)propoxybenzene is sourced from PubChem (CID 10215479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).