2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol

C22H23NO3 — CID 90691915

IUPAC2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCCOc1ccc(-n2c(O)c3c(c2O)CC(c2ccccc2)CC3)cc1
InChIInChI=1S/C22H23NO3/c1-2-26-18-11-9-17(10-12-18)23-21(24)19-13-8-16(14-20(19)22(23)25)15-6-4-3-5-7-15/h3-7,9-12,16,24-25H,2,8,13-14H2,1H3
InChIKeyVUBZORZSHURSMF-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.56
Rot. Bonds4

About 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol

2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 90691915) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID90691915
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESCCOc1ccc(-n2c(O)c3c(c2O)CC(c2ccccc2)CC3)cc1
InChIInChI=1S/C22H23NO3/c1-2-26-18-11-9-17(10-12-18)23-21(24)19-13-8-16(14-20(19)22(23)25)15-6-4-3-5-7-15/h3-7,9-12,16,24-25H,2,8,13-14H2,1H3
InChIKeyVUBZORZSHURSMF-UHFFFAOYSA-N
XLogP4.56
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-3-[(4-methoxyphenyl)iminomethyl]indol-2-ol
CID 168295412
2-(4-Hydroxyphenyl)-3-methyl-1-(4-phenoxybutyl)indol-5-ol
CID 156017447
1-[(4-Butoxyphenyl)methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 44581564
1-[4-(benzyloxy)phenyl]-2,5-dimethyl-1H-pyrrole
CID 793170
4-[2-(4-Fluorophenyl)-5-propoxyindol-1-yl]phenol
CID 21524011
2-(4-Fluorophenyl)-3-[(4-hydroxyphenyl)methyl]-6-methoxyisoindol-1-ol
CID 54136744
(1S,7R,8R,10S)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
CID 90691785
(1R,7S,8S,10R)-4-[4-methoxy-3-(trifluoromethyl)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
CID 90797945
[4-[1-[1-(4-Acetyloxyphenyl)-2,5-dihydroxy-4-methylpyrrol-3-yl]-3-(trifluoromethyl)pentyl]phenyl] acetate
CID 90902556
2-(3-Fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91212842
5-Phenyl-2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91263652
3-Methyl-1-[4-[6-(3,4,5-trifluorophenoxy)hexoxy]phenyl]-4-[2-[4-[6-(3,4,5-trifluorophenoxy)hexoxy]phenyl]propyl]pyrrole-2,5-diol
CID 91295061

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 90691915) is 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol is CCOc1ccc(-n2c(O)c3c(c2O)CC(c2ccccc2)CC3)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is VUBZORZSHURSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-2-26-18-11-9-17(10-12-18)23-21(24)19-13-8-16(14-20(19)22(23)25)15-6-4-3-5-7-15/h3-7,9-12,16,24-25H,2,8,13-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 349.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-phenyl-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 90691915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).