(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one

C19H22NO5P — CID 132502408

IUPAC(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one
SMILESCCOP(=O)(OCC)[C@@]1(c2ccc(OC)cc2)NC(=O)c2ccccc21
InChIInChI=1S/C19H22NO5P/c1-4-24-26(22,25-5-2)19(14-10-12-15(23-3)13-11-14)17-9-7-6-8-16(17)18(21)20-19/h6-13H,4-5H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyFGHFEDRBKNLIMN-LJQANCHMSA-N
MW375.36 g/mol
LogP3.91
Rot. Bonds7

About (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one

(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one (PubChem CID 132502408) has the molecular formula C19H22NO5P and a molecular weight of 375.36 g/mol. Its IUPAC name is (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one
PubChem CID132502408
Molecular FormulaC19H22NO5P
Molecular Weight375.36 g/mol
Exact Mass375.12
IUPAC Name(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one
SMILESCCOP(=O)(OCC)[C@@]1(c2ccc(OC)cc2)NC(=O)c2ccccc21
InChIInChI=1S/C19H22NO5P/c1-4-24-26(22,25-5-2)19(14-10-12-15(23-3)13-11-14)17-9-7-6-8-16(17)18(21)20-19/h6-13H,4-5H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyFGHFEDRBKNLIMN-LJQANCHMSA-N
XLogP3.91
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[diethoxyphosphoryl(phenyl)methyl]-4-methoxybenzamide
CID 3409029
3-methoxy-2-(4-methoxybenzyl)-2,3-dihydro-1H-isoindol-1-one
CID 3653878
2-[3-Hydroxy-1-(4-methoxyphenyl)propyl]-1-isoindolinone
CID 3775723
3-(4-Methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)propanamide
CID 16034717
Isoindolinone scaffold, 48
CID 16090449
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-methoxybenzyl)propanamide
CID 757366
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-methoxybenzyl)butanamide
CID 1308990
N-Benzyl-3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)propanamide
CID 16022466
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(4-methoxy-phenyl)-propionamide
CID 9949152
5-Methoxy-3,3-dimethylisoindolin-1-one
CID 10583876
4-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide
CID 18200816
3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one
CID 10658659

Frequently Asked Questions

What is the IUPAC name of (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one?
The IUPAC name of (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one (CID 132502408) is (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one.
What is the SMILES notation for (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one?
The canonical SMILES for (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one is CCOP(=O)(OCC)[C@@]1(c2ccc(OC)cc2)NC(=O)c2ccccc21.
What is the InChIKey of (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one?
The InChIKey is FGHFEDRBKNLIMN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22NO5P/c1-4-24-26(22,25-5-2)19(14-10-12-15(23-3)13-11-14)17-9-7-6-8-16(17)18(21)20-19/h6-13H,4-5H2,1-3H3,(H,20,21)/t19-/m1/s1.
What are the key properties of (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one?
(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one has a molecular weight of 375.36 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one is sourced from PubChem (CID 132502408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).