[(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate

C18H21O6P — CID 102206576

IUPAC[(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate
SMILESCOc1ccc(C[C@H](OC(=O)c2ccccc2)P(=O)(OC)OC)cc1
InChIInChI=1S/C18H21O6P/c1-21-16-11-9-14(10-12-16)13-17(25(20,22-2)23-3)24-18(19)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3/t17-/m1/s1
InChIKeySBUYBYCQRVWECN-QGZVFWFLSA-N
MW364.33 g/mol
LogP3.91
Rot. Bonds8

About [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate

[(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate (PubChem CID 102206576) has the molecular formula C18H21O6P and a molecular weight of 364.33 g/mol. Its IUPAC name is [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate.

Molecular Properties

Compound Name[(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate
PubChem CID102206576
Molecular FormulaC18H21O6P
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name[(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate
SMILESCOc1ccc(C[C@H](OC(=O)c2ccccc2)P(=O)(OC)OC)cc1
InChIInChI=1S/C18H21O6P/c1-21-16-11-9-14(10-12-16)13-17(25(20,22-2)23-3)24-18(19)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3/t17-/m1/s1
InChIKeySBUYBYCQRVWECN-QGZVFWFLSA-N
XLogP3.91
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-dimethoxyphosphorylpropyl benzoate
CID 134920574
[(1R)-1-dimethoxyphosphoryldodecyl] benzoate
CID 102395340
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
[1-amino-2-(4-methoxyphenyl)ethyl] 4-methoxybenzoate
CID 56996314
6-(4-methoxyphenyl)hexan-2-yl benzoate
CID 175474709
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
CID 86053961
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate?
The IUPAC name of [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate (CID 102206576) is [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate.
What is the SMILES notation for [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate?
The canonical SMILES for [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate is COc1ccc(C[C@H](OC(=O)c2ccccc2)P(=O)(OC)OC)cc1.
What is the InChIKey of [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate?
The InChIKey is SBUYBYCQRVWECN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21O6P/c1-21-16-11-9-14(10-12-16)13-17(25(20,22-2)23-3)24-18(19)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3/t17-/m1/s1.
What are the key properties of [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate?
[(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate has a molecular weight of 364.33 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-dimethoxyphosphoryl-2-(4-methoxyphenyl)ethyl] benzoate is sourced from PubChem (CID 102206576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).