2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione

C40H35NO4 — CID 25149837

IUPAC2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C40H35NO4/c42-38-34-23-13-14-24-35(34)39(43)41(38)36-26-25-30(37(36)44-27-29-15-5-1-6-16-29)28-45-40(31-17-7-2-8-18-31,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-24,30,36-37H,25-28H2/t30-,36-,37-/m1/s1
InChIKeyWHHCLDKQBMYNRE-QPQSGNJTSA-N
MW593.72 g/mol
LogP7.66
Rot. Bonds10

About 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione

2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione (PubChem CID 25149837) has the molecular formula C40H35NO4 and a molecular weight of 593.72 g/mol. Its IUPAC name is 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione
PubChem CID25149837
Molecular FormulaC40H35NO4
Molecular Weight593.72 g/mol
Exact Mass593.26
IUPAC Name2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C40H35NO4/c42-38-34-23-13-14-24-35(34)39(43)41(38)36-26-25-30(37(36)44-27-29-15-5-1-6-16-29)28-45-40(31-17-7-2-8-18-31,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-24,30,36-37H,25-28H2/t30-,36-,37-/m1/s1
InChIKeyWHHCLDKQBMYNRE-QPQSGNJTSA-N
XLogP7.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.72
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione 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

2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
CID 68810098
tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane
CID 25150053
(E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide
CID 25149944
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
(7S,8R,8aS)-7-ethyl-8-phenylmethoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102151512
(2S,4S,5S)-2-(4-methylphenyl)sulfanyl-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxane
CID 153310906
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione
CID 102437877
[[(1S,4S)-3-fluoro-4-phenylmethoxycyclopent-2-en-1-yl]methoxy-diphenylmethyl]benzene
CID 11784532
2-[(4-phenylmethoxypiperidin-1-yl)methyl]isoindole-1,3-dione
CID 17416201

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione (CID 25149837) is 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione?
The InChIKey is WHHCLDKQBMYNRE-QPQSGNJTSA-N. The full InChI is InChI=1S/C40H35NO4/c42-38-34-23-13-14-24-35(34)39(43)41(38)36-26-25-30(37(36)44-27-29-15-5-1-6-16-29)28-45-40(31-17-7-2-8-18-31,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-24,30,36-37H,25-28H2/t30-,36-,37-/m1/s1.
What are the key properties of 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione?
2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione has a molecular weight of 593.72 g/mol, XLogP of 7.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione is sourced from PubChem (CID 25149837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).