2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione

C25H23NO4 — CID 165404978

IUPAC2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione
SMILESCO[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H23NO4/c1-29-21(16-26-24(27)22-9-5-6-10-23(22)25(26)28)15-18-11-13-20(14-12-18)30-17-19-7-3-2-4-8-19/h2-14,21H,15-17H2,1H3/t21-/m0/s1
InChIKeyOZGWNIMSVMTHAH-NRFANRHFSA-N
MW401.46 g/mol
LogP4.12
Rot. Bonds8

About 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione

2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione (PubChem CID 165404978) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione
PubChem CID165404978
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione
SMILESCO[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H23NO4/c1-29-21(16-26-24(27)22-9-5-6-10-23(22)25(26)28)15-18-11-13-20(14-12-18)30-17-19-7-3-2-4-8-19/h2-14,21H,15-17H2,1H3/t21-/m0/s1
InChIKeyOZGWNIMSVMTHAH-NRFANRHFSA-N
XLogP4.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]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-(3-bromo-2-methoxypropyl)isoindole-1,3-dione
CID 121378395
methyl (2S)-2-[13-(2-ethylbutyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3-(4-phenylmethoxyphenyl)propanoate
CID 53254224
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione
CID 176956532
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 2555543
2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 21138805
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-(2-amino-2-phenylmethoxyethyl)isoindole-1,3-dione
CID 57109215
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
[1-(1,3-dioxoisoindol-2-yl)-3-phenoxypropan-2-yl] acetate
CID 101070696

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione (CID 165404978) is 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione is CO[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione?
The InChIKey is OZGWNIMSVMTHAH-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23NO4/c1-29-21(16-26-24(27)22-9-5-6-10-23(22)25(26)28)15-18-11-13-20(14-12-18)30-17-19-7-3-2-4-8-19/h2-14,21H,15-17H2,1H3/t21-/m0/s1.
What are the key properties of 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione?
2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione has a molecular weight of 401.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methoxy-3-(4-phenylmethoxyphenyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 165404978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).