[(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate

C26H29O7P — CID 23420739

IUPAC[(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate
SMILESCCOP(=O)(OCC)[C@H](OC(=O)[C@@H](OC)c1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H29O7P/c1-4-30-34(28,31-5-2)26(33-25(27)24(29-3)20-13-8-6-9-14-20)21-15-12-18-23(19-21)32-22-16-10-7-11-17-22/h6-19,24,26H,4-5H2,1-3H3/t24-,26-/m0/s1
InChIKeyLWIPAEQLHQDEKR-AHWVRZQESA-N
MW484.49 g/mol
LogP6.67
Rot. Bonds12

About [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate

[(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate (PubChem CID 23420739) has the molecular formula C26H29O7P and a molecular weight of 484.49 g/mol. Its IUPAC name is [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name[(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate
PubChem CID23420739
Molecular FormulaC26H29O7P
Molecular Weight484.49 g/mol
Exact Mass484.17
IUPAC Name[(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate
SMILESCCOP(=O)(OCC)[C@H](OC(=O)[C@@H](OC)c1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C26H29O7P/c1-4-30-34(28,31-5-2)26(33-25(27)24(29-3)20-13-8-6-9-14-20)21-15-12-18-23(19-21)32-22-16-10-7-11-17-22/h6-19,24,26H,4-5H2,1-3H3/t24-,26-/m0/s1
InChIKeyLWIPAEQLHQDEKR-AHWVRZQESA-N
XLogP6.67
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.49
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate 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

[(R)-bis(prop-2-enoxy)phosphoryl-[3-(trifluoromethyl)phenyl]methyl] (2S)-2-methoxy-2-phenylacetate
CID 23420747
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
CID 171192082
[(1R,2R)-2-benzamido-1-diethoxyphosphoryl-2-phenylethyl] (2S)-2-methoxy-2-phenylacetate
CID 15475475
2-(3-phenoxyphenyl)butanoic acid
CID 69314878
(S)-diethoxyphosphoryl-(3-phenylmethoxyphenyl)methanamine
CID 171191904
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
N-ethoxy-2-(3-phenoxyphenyl)propanamide
CID 46190731
benzyl N-[diethoxyphosphoryl-(3-methoxyphenyl)methyl]carbamate
CID 23420217
[cyano-(3-phenoxyphenyl)methyl] ethyl carbonate
CID 13307555
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
1,3-dihydroxypropan-2-yl 2-(3-phenoxyphenyl)propanoate
CID 129318698
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072

Frequently Asked Questions

What is the IUPAC name of [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate?
The IUPAC name of [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate (CID 23420739) is [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate.
What is the SMILES notation for [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate?
The canonical SMILES for [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate is CCOP(=O)(OCC)[C@H](OC(=O)[C@@H](OC)c1ccccc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate?
The InChIKey is LWIPAEQLHQDEKR-AHWVRZQESA-N. The full InChI is InChI=1S/C26H29O7P/c1-4-30-34(28,31-5-2)26(33-25(27)24(29-3)20-13-8-6-9-14-20)21-15-12-18-23(19-21)32-22-16-10-7-11-17-22/h6-19,24,26H,4-5H2,1-3H3/t24-,26-/m0/s1.
What are the key properties of [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate?
[(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate has a molecular weight of 484.49 g/mol, XLogP of 6.67, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate is sourced from PubChem (CID 23420739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).