1,1-bis(diethoxyphosphoryl)-2-phenylethanol

C16H28O7P2 — CID 10340585

IUPAC1,1-bis(diethoxyphosphoryl)-2-phenylethanol
SMILESCCOP(=O)(OCC)C(O)(Cc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C16H28O7P2/c1-5-20-24(18,21-6-2)16(17,14-15-12-10-9-11-13-15)25(19,22-7-3)23-8-4/h9-13,17H,5-8,14H2,1-4H3
InChIKeyFKCGHGOXUVEXBO-UHFFFAOYSA-N
MW394.34 g/mol
LogP4.41
Rot. Bonds12

About 1,1-bis(diethoxyphosphoryl)-2-phenylethanol

1,1-bis(diethoxyphosphoryl)-2-phenylethanol (PubChem CID 10340585) has the molecular formula C16H28O7P2 and a molecular weight of 394.34 g/mol. Its IUPAC name is 1,1-bis(diethoxyphosphoryl)-2-phenylethanol.

Molecular Properties

Compound Name1,1-bis(diethoxyphosphoryl)-2-phenylethanol
PubChem CID10340585
Molecular FormulaC16H28O7P2
Molecular Weight394.34 g/mol
Exact Mass394.13
IUPAC Name1,1-bis(diethoxyphosphoryl)-2-phenylethanol
SMILESCCOP(=O)(OCC)C(O)(Cc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C16H28O7P2/c1-5-20-24(18,21-6-2)16(17,14-15-12-10-9-11-13-15)25(19,22-7-3)23-8-4/h9-13,17H,5-8,14H2,1-4H3
InChIKeyFKCGHGOXUVEXBO-UHFFFAOYSA-N
XLogP4.41
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dichloro-2-diethoxyphosphorylethyl)benzene
CID 11141450
CID 6331790
CID 6331790
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157
1-diethoxyphosphoryl-1-phenyldodecan-1-ol
CID 135062703
(2S)-2,4-diamino-2-benzyl-1-diethoxyphosphorylbutane-1,3-dione
CID 154429680
2-diethoxyphosphorylselanyl-2-methyl-1,3-diphenylpropan-1-one
CID 101257767
(3-diethoxyphosphoryl-3,3-difluoropropoxy)methylbenzene
CID 162539468
2-diethoxyphosphoryl-N-hydroxy-2,2-diphenylacetonitrilium
CID 163989684
2-diethoxyphosphorylethylbenzene
CID 3448525
2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol
CID 15584229
2-diethoxyphosphoryl-2-methyl-1-phenylhexan-1-one
CID 42646894
(1R)-1-diethoxyphosphoryl-1-naphthalen-2-ylethanol
CID 15260930

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(diethoxyphosphoryl)-2-phenylethanol?
The IUPAC name of 1,1-bis(diethoxyphosphoryl)-2-phenylethanol (CID 10340585) is 1,1-bis(diethoxyphosphoryl)-2-phenylethanol.
What is the SMILES notation for 1,1-bis(diethoxyphosphoryl)-2-phenylethanol?
The canonical SMILES for 1,1-bis(diethoxyphosphoryl)-2-phenylethanol is CCOP(=O)(OCC)C(O)(Cc1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of 1,1-bis(diethoxyphosphoryl)-2-phenylethanol?
The InChIKey is FKCGHGOXUVEXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O7P2/c1-5-20-24(18,21-6-2)16(17,14-15-12-10-9-11-13-15)25(19,22-7-3)23-8-4/h9-13,17H,5-8,14H2,1-4H3.
What are the key properties of 1,1-bis(diethoxyphosphoryl)-2-phenylethanol?
1,1-bis(diethoxyphosphoryl)-2-phenylethanol has a molecular weight of 394.34 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(diethoxyphosphoryl)-2-phenylethanol is sourced from PubChem (CID 10340585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).