2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol

C18H23O4P — CID 15584229

IUPAC2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol
SMILESCOP(=O)(CC(O)(Cc1ccccc1)Cc1ccccc1)OC
InChIInChI=1S/C18H23O4P/c1-21-23(20,22-2)15-18(19,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3
InChIKeyYFBVSGKFGMTMRH-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.69
Rot. Bonds8

About 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol

2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol (PubChem CID 15584229) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol.

Molecular Properties

Compound Name2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol
PubChem CID15584229
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol
SMILESCOP(=O)(CC(O)(Cc1ccccc1)Cc1ccccc1)OC
InChIInChI=1S/C18H23O4P/c1-21-23(20,22-2)15-18(19,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3
InChIKeyYFBVSGKFGMTMRH-UHFFFAOYSA-N
XLogP3.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one
CID 19758093
azane;3-benzylpentan-3-ol
CID 173295411
2-hydroxy-1,3-diphenylpropane-2-sulfonic acid
CID 103574168
1,1-bis(diethoxyphosphoryl)-2-phenylethanol
CID 10340585
(2R,3S)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-phenylbutan-2-ol
CID 11190239
CID 6331790
CID 6331790
[3-dimethoxyphosphoryl-2-(dimethoxyphosphorylmethyl)propyl]benzene
CID 14030878
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
methyl (2S)-2-benzyl-2-hydroxy-3-oxobutanoate
CID 101479672
3,3-dibromo-4-phenylbutan-2-one
CID 20690158
[benzyl(methoxy)phosphoryl]methanol
CID 54224349

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol?
The IUPAC name of 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol (CID 15584229) is 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol.
What is the SMILES notation for 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol?
The canonical SMILES for 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol is COP(=O)(CC(O)(Cc1ccccc1)Cc1ccccc1)OC.
What is the InChIKey of 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol?
The InChIKey is YFBVSGKFGMTMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c1-21-23(20,22-2)15-18(19,13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,19H,13-15H2,1-2H3.
What are the key properties of 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol?
2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol has a molecular weight of 334.35 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-dimethoxyphosphoryl-3-phenylpropan-2-ol is sourced from PubChem (CID 15584229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).