1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol

C23H21NO2 — CID 174639952

IUPAC1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol
SMILESOc1cn(CC(O)C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H21NO2/c25-21-15-24(20-14-8-7-13-19(20)21)16-22(26)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,22-23,25-26H,16H2
InChIKeyWVBYTCUDPAPYDL-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.54
Rot. Bonds5

About 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol

1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol (PubChem CID 174639952) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol
PubChem CID174639952
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol
SMILESOc1cn(CC(O)C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H21NO2/c25-21-15-24(20-14-8-7-13-19(20)21)16-22(26)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,22-23,25-26H,16H2
InChIKeyWVBYTCUDPAPYDL-UHFFFAOYSA-N
XLogP4.54
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;1-ethylindol-3-ol
CID 71405602
3-(3-methylindol-1-yl)-2-phenylpropanoic acid
CID 63073735
1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol
CID 18351861
1-(2-propan-2-yloxyethyl)indole-3-carboxylic acid
CID 54957599
1-(methylamino)-3-(3-phenylindol-1-yl)propan-2-ol
CID 91261190
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol
CID 153384624
3-chloro-1-(2-methylpropyl)indole
CID 174585966
N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
2-[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]acetic acid
CID 118726280
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol?
The IUPAC name of 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol (CID 174639952) is 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol.
What is the SMILES notation for 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol?
The canonical SMILES for 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol is Oc1cn(CC(O)C(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol?
The InChIKey is WVBYTCUDPAPYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-21-15-24(20-14-8-7-13-19(20)21)16-22(26)23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,22-23,25-26H,16H2.
What are the key properties of 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol?
1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol has a molecular weight of 343.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,3-diphenylpropyl)indol-3-ol is sourced from PubChem (CID 174639952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).