5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol

C15H15NO2 — CID 54310297

IUPAC5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol
SMILESCC1=CCc2c(c(O)n(-c3ccccc3)c2O)C1
InChIInChI=1S/C15H15NO2/c1-10-7-8-12-13(9-10)15(18)16(14(12)17)11-5-3-2-4-6-11/h2-7,17-18H,8-9H2,1H3
InChIKeySKKCWXABBRNXIZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.93
Rot. Bonds1

About 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol

5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol (PubChem CID 54310297) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol.

Molecular Properties

Compound Name5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol
PubChem CID54310297
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol
SMILESCC1=CCc2c(c(O)n(-c3ccccc3)c2O)C1
InChIInChI=1S/C15H15NO2/c1-10-7-8-12-13(9-10)15(18)16(14(12)17)11-5-3-2-4-6-11/h2-7,17-18H,8-9H2,1H3
InChIKeySKKCWXABBRNXIZ-UHFFFAOYSA-N
XLogP2.93
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-5-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)-4,7-dihydroisoindole-1,3-diol
CID 91582389
2-phenyl-4,5-dihydroisoindole-1,3-diol
CID 54021150
4-hydroxy-1,5-dimethyl-3-phenylimidazol-2-one
CID 13382230
(8bR)-4-methyl-7-phenyl-3,3-di(propan-2-yl)-5,8b-dihydro-1H-oxasilolo[4,3-e]isoindole-6,8-diol
CID 91392121
5-chloro-2-phenyl-4,5-dihydroisoindole-1,3-diol
CID 90932595
1,3-dimethyl-2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-ol
CID 23456191
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
6-methyl-2,3-diphenyl-7H-cyclohepta[d]imidazole
CID 142408476
methane;2-methyl-3-phenylimidazol-4-ol
CID 174333802
4-hydroxy-5-methyl-1-phenyl-3H-pyrrol-2-one
CID 59888190
4-methyl-2-phenyl-1,5-dihydropyrazole
CID 174606195
2-hydroxy-4-methyl-6-oxo-1-phenylpyridine-3-sulfonic acid
CID 23338688

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol?
The IUPAC name of 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol (CID 54310297) is 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol.
What is the SMILES notation for 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol?
The canonical SMILES for 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol is CC1=CCc2c(c(O)n(-c3ccccc3)c2O)C1.
What is the InChIKey of 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol?
The InChIKey is SKKCWXABBRNXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-7-8-12-13(9-10)15(18)16(14(12)17)11-5-3-2-4-6-11/h2-7,17-18H,8-9H2,1H3.
What are the key properties of 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol?
5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol has a molecular weight of 241.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4,7-dihydroisoindole-1,3-diol is sourced from PubChem (CID 54310297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).