2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol

C21H21NO — CID 71605475

IUPAC2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol
SMILESOc1ccccc1-c1cc2c(n1Cc1ccccc1)CCCC2
InChIInChI=1S/C21H21NO/c23-21-13-7-5-11-18(21)20-14-17-10-4-6-12-19(17)22(20)15-16-8-2-1-3-9-16/h1-3,5,7-9,11,13-14,23H,4,6,10,12,15H2
InChIKeyQRGLRMYBJAXBAO-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.79
Rot. Bonds3

About 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol

2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol (PubChem CID 71605475) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol.

Molecular Properties

Compound Name2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol
PubChem CID71605475
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol
SMILESOc1ccccc1-c1cc2c(n1Cc1ccccc1)CCCC2
InChIInChI=1S/C21H21NO/c23-21-13-7-5-11-18(21)20-14-17-10-4-6-12-19(17)22(20)15-16-8-2-1-3-9-16/h1-3,5,7-9,11,13-14,23H,4,6,10,12,15H2
InChIKeyQRGLRMYBJAXBAO-UHFFFAOYSA-N
XLogP4.79
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71457218
4-[2,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-3-yl]-3-fluorophenol
CID 71450113
4-[3,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71453712
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71457266
3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71459076
4-[4,5-Bis(2-fluoro-4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71460882
9-methyl-2,3,4,9-tetrahydro-1H-carbazol-6-ol
CID 10442813
2,4-diphenyl-5H-indeno[1,2-b]pyridin-9-ol
CID 155532566
2-(1H-indol-2-yl)phenol
CID 700009
3-(2,6-Diphenyl-4-pyridinyl)phenol
CID 46887217
1-ethyl-3-(2-piperidinylidene)-1,3-dihydro-2H-indol-2-one
CID 878566
4-[3,5-Bis(4-hydroxyphenyl)-1-methylpyrrol-2-yl]-3-fluorophenol
CID 71453711

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol?
The IUPAC name of 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol (CID 71605475) is 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol.
What is the SMILES notation for 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol?
The canonical SMILES for 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol is Oc1ccccc1-c1cc2c(n1Cc1ccccc1)CCCC2.
What is the InChIKey of 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol?
The InChIKey is QRGLRMYBJAXBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c23-21-13-7-5-11-18(21)20-14-17-10-4-6-12-19(17)22(20)15-16-8-2-1-3-9-16/h1-3,5,7-9,11,13-14,23H,4,6,10,12,15H2.
What are the key properties of 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol?
2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol has a molecular weight of 303.41 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4,5,6,7-tetrahydroindol-2-yl)phenol is sourced from PubChem (CID 71605475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).