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

C14H13NO2 — CID 54021150

IUPAC2-phenyl-4,5-dihydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccccc1)CCC=C2
InChIInChI=1S/C14H13NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-4,6-8,16-17H,5,9H2
InChIKeyKYZRKMMCCQNTJF-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.85
Rot. Bonds1

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

2-phenyl-4,5-dihydroisoindole-1,3-diol (PubChem CID 54021150) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-phenyl-4,5-dihydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-phenyl-4,5-dihydroisoindole-1,3-diol
PubChem CID54021150
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-phenyl-4,5-dihydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccccc1)CCC=C2
InChIInChI=1S/C14H13NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-4,6-8,16-17H,5,9H2
InChIKeyKYZRKMMCCQNTJF-UHFFFAOYSA-N
XLogP2.85
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-phenyl-4,5-dihydroisoindole-1,3-diol
CID 90932595
5-phenyl-9,10-dihydrophenanthridin-6-one
CID 153394465
2-methoxy-4,5-dihydroisoindole-1,3-diol
CID 54566838
24-(4-methylphenyl)-3-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11(16),12,18,20,22-decaene
CID 145080123
5-chloro-7-[4-(4-phenylphenyl)phenyl]-1,2-dihydrobenzo[c]carbazole
CID 145362296
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
5-phenyl-6,7-dihydroindolo[3,2-b]quinoline
CID 91355123
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole
CID 167566058
9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5-dihydroisoindole-1,3-diol?
The IUPAC name of 2-phenyl-4,5-dihydroisoindole-1,3-diol (CID 54021150) is 2-phenyl-4,5-dihydroisoindole-1,3-diol.
What is the SMILES notation for 2-phenyl-4,5-dihydroisoindole-1,3-diol?
The canonical SMILES for 2-phenyl-4,5-dihydroisoindole-1,3-diol is Oc1c2c(c(O)n1-c1ccccc1)CCC=C2.
What is the InChIKey of 2-phenyl-4,5-dihydroisoindole-1,3-diol?
The InChIKey is KYZRKMMCCQNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-4,6-8,16-17H,5,9H2.
What are the key properties of 2-phenyl-4,5-dihydroisoindole-1,3-diol?
2-phenyl-4,5-dihydroisoindole-1,3-diol has a molecular weight of 227.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5-dihydroisoindole-1,3-diol is sourced from PubChem (CID 54021150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).