4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione

C24H21NO4 — CID 139789664

IUPAC4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione
SMILESCOc1cccc2c1C(=O)N([C@H](COCc1ccccc1)c1ccccc1)C2=O
InChIInChI=1S/C24H21NO4/c1-28-21-14-8-13-19-22(21)24(27)25(23(19)26)20(18-11-6-3-7-12-18)16-29-15-17-9-4-2-5-10-17/h2-14,20H,15-16H2,1H3/t20-/m1/s1
InChIKeySWJFAKNNOJDFHM-HXUWFJFHSA-N
MW387.44 g/mol
LogP4.25
Rot. Bonds7

About 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione

4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione (PubChem CID 139789664) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione
PubChem CID139789664
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione
SMILESCOc1cccc2c1C(=O)N([C@H](COCc1ccccc1)c1ccccc1)C2=O
InChIInChI=1S/C24H21NO4/c1-28-21-14-8-13-19-22(21)24(27)25(23(19)26)20(18-11-6-3-7-12-18)16-29-15-17-9-4-2-5-10-17/h2-14,20H,15-16H2,1H3/t20-/m1/s1
InChIKeySWJFAKNNOJDFHM-HXUWFJFHSA-N
XLogP4.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione
CID 139789602
tert-butyl 2-[1,3-dioxo-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindol-4-yl]oxyacetate
CID 139789678
2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutyl]-4-hydroxyisoindole-1,3-dione
CID 58295861
2-[1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylsulfonylethyl]-4-nitroisoindole-1,3-dione
CID 67975913
2-[(1R)-1-(3,4-dimethoxyphenyl)-4-phenylmethoxybutyl]-4-(4-ethylpiperazin-1-yl)isoindole-1,3-dione
CID 58295945
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685
methyl 3-[1,3-dioxo-4-[(2-phenylmethoxyacetyl)amino]isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoate
CID 153353205
2-(1-phenylmethoxybut-3-en-2-yl)isoindole-1,3-dione
CID 14452109
4-methoxy-2-(1-piperidin-1-ylethyl)isoindole-1,3-dione
CID 70171779
4,5-dimethoxy-2-(1-phenylethyl)isoindole-1,3-dione
CID 69018522
2-[(1S)-2-(3,5-dimethylphenoxy)-1-phenylethyl]isoindole-1,3-dione
CID 139789655
5-amino-4-[1,3-dioxo-4-(4-phenylmethoxybutoxy)isoindol-2-yl]-5-oxopentanoic acid
CID 175335672

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione?
The IUPAC name of 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione (CID 139789664) is 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione.
What is the SMILES notation for 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione?
The canonical SMILES for 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione is COc1cccc2c1C(=O)N([C@H](COCc1ccccc1)c1ccccc1)C2=O.
What is the InChIKey of 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione?
The InChIKey is SWJFAKNNOJDFHM-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H21NO4/c1-28-21-14-8-13-19-22(21)24(27)25(23(19)26)20(18-11-6-3-7-12-18)16-29-15-17-9-4-2-5-10-17/h2-14,20H,15-16H2,1H3/t20-/m1/s1.
What are the key properties of 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione?
4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione has a molecular weight of 387.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1S)-1-phenyl-2-phenylmethoxyethyl]isoindole-1,3-dione is sourced from PubChem (CID 139789664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).