2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene

C18H32O5P2 — CID 14248167

IUPAC2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene
SMILESCC(C)OP(=O)(CCc1ccccc1)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C18H32O5P2/c1-15(2)21-24(19,13-12-18-10-8-7-9-11-18)14-25(20,22-16(3)4)23-17(5)6/h7-11,15-17H,12-14H2,1-6H3
InChIKeySWDFQACGUTVPHV-UHFFFAOYSA-N
MW390.40 g/mol
LogP5.93
Rot. Bonds11

About 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene

2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene (PubChem CID 14248167) has the molecular formula C18H32O5P2 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene.

Molecular Properties

Compound Name2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene
PubChem CID14248167
Molecular FormulaC18H32O5P2
Molecular Weight390.40 g/mol
Exact Mass390.17
IUPAC Name2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene
SMILESCC(C)OP(=O)(CCc1ccccc1)CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C18H32O5P2/c1-15(2)21-24(19,13-12-18-10-8-7-9-11-18)14-25(20,22-16(3)4)23-17(5)6/h7-11,15-17H,12-14H2,1-6H3
InChIKeySWDFQACGUTVPHV-UHFFFAOYSA-N
XLogP5.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene 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-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane
CID 14248168
2-diethoxyphosphorylethylbenzene
CID 3448525
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite
CID 162515513
2-[2-[bis(2-phenylethyl)phosphoryloxy]ethyl-(2-phenylethyl)phosphoryl]ethylbenzene
CID 100957246
3-[hydroxy(2-phenylethyl)phosphoryl]-2-methylpropanoic acid
CID 46213969
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
3,4-dimethylhexylbenzene
CID 72602417
3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane
CID 15770151
[(1S)-1-hydroxy-2-methylpropyl]-(2-phenylethyl)phosphinic acid
CID 949317
2-dichlorophosphorylethylbenzene
CID 15169214

Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene?
The IUPAC name of 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene (CID 14248167) is 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene.
What is the SMILES notation for 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene?
The canonical SMILES for 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene is CC(C)OP(=O)(CCc1ccccc1)CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene?
The InChIKey is SWDFQACGUTVPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5P2/c1-15(2)21-24(19,13-12-18-10-8-7-9-11-18)14-25(20,22-16(3)4)23-17(5)6/h7-11,15-17H,12-14H2,1-6H3.
What are the key properties of 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene?
2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene has a molecular weight of 390.40 g/mol, XLogP of 5.93, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]ethylbenzene is sourced from PubChem (CID 14248167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).