2-(3-benzyl-1H-indol-2-yl)phenol

C21H17NO — CID 142650095

IUPAC2-(3-benzyl-1H-indol-2-yl)phenol
SMILESOc1ccccc1-c1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C21H17NO/c23-20-13-7-5-11-17(20)21-18(14-15-8-2-1-3-9-15)16-10-4-6-12-19(16)22-21/h1-13,22-23H,14H2
InChIKeyNHGSNEZLATYVSW-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.13
Rot. Bonds3

About 2-(3-benzyl-1H-indol-2-yl)phenol

2-(3-benzyl-1H-indol-2-yl)phenol (PubChem CID 142650095) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3-benzyl-1H-indol-2-yl)phenol.

Molecular Properties

Compound Name2-(3-benzyl-1H-indol-2-yl)phenol
PubChem CID142650095
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name2-(3-benzyl-1H-indol-2-yl)phenol
SMILESOc1ccccc1-c1[nH]c2ccccc2c1Cc1ccccc1
InChIInChI=1S/C21H17NO/c23-20-13-7-5-11-17(20)21-18(14-15-8-2-1-3-9-15)16-10-4-6-12-19(16)22-21/h1-13,22-23H,14H2
InChIKeyNHGSNEZLATYVSW-UHFFFAOYSA-N
XLogP5.13
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-benzyl-1H-indol-2-yl)-4,6-dibromophenol
CID 142650100
3-benzyl-2-chloro-1H-indole
CID 12605517
(2-benzyl-1H-indol-3-yl)methanol
CID 129187349
3-benzyl-2-thiophen-2-yl-1H-indole
CID 11087509
3-benzyl-1H-indole-2-carboxamide
CID 70180298
1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071
benzylbenzene;2-[2-(2-hydroxyphenyl)phenyl]phenol
CID 159586840
2-benzyl-3-ethyl-1H-indole
CID 13115106
4-[(2-methyl-1H-indol-3-yl)methyl]phenol
CID 21239687
3-benzyl-2-ethylsulfanyl-1H-indole
CID 11414484
3-[(2-hydroxy-1H-indol-3-yl)methyl]-1H-indol-2-ol
CID 11959861
N-benzyl-2-[2-(2-bromophenyl)-1H-indol-3-yl]acetamide
CID 142736218

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1H-indol-2-yl)phenol?
The IUPAC name of 2-(3-benzyl-1H-indol-2-yl)phenol (CID 142650095) is 2-(3-benzyl-1H-indol-2-yl)phenol.
What is the SMILES notation for 2-(3-benzyl-1H-indol-2-yl)phenol?
The canonical SMILES for 2-(3-benzyl-1H-indol-2-yl)phenol is Oc1ccccc1-c1[nH]c2ccccc2c1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-1H-indol-2-yl)phenol?
The InChIKey is NHGSNEZLATYVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c23-20-13-7-5-11-17(20)21-18(14-15-8-2-1-3-9-15)16-10-4-6-12-19(16)22-21/h1-13,22-23H,14H2.
What are the key properties of 2-(3-benzyl-1H-indol-2-yl)phenol?
2-(3-benzyl-1H-indol-2-yl)phenol has a molecular weight of 299.37 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1H-indol-2-yl)phenol is sourced from PubChem (CID 142650095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).