1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol

C20H23NO — CID 58653198

IUPAC1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol
SMILESCc1cc(O)c2cc(CC(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H23NO/c1-14(2)9-17-12-18-19(10-15(3)11-20(18)22)21(17)13-16-7-5-4-6-8-16/h4-8,10-12,14,22H,9,13H2,1-3H3
InChIKeyLBSAVGLPAXZFPS-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.90
Rot. Bonds4

About 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol

1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol (PubChem CID 58653198) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol.

Molecular Properties

Compound Name1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol
PubChem CID58653198
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol
SMILESCc1cc(O)c2cc(CC(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C20H23NO/c1-14(2)9-17-12-18-19(10-15(3)11-20(18)22)21(17)13-16-7-5-4-6-8-16/h4-8,10-12,14,22H,9,13H2,1-3H3
InChIKeyLBSAVGLPAXZFPS-UHFFFAOYSA-N
XLogP4.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol?
The IUPAC name of 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol (CID 58653198) is 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol.
What is the SMILES notation for 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol?
The canonical SMILES for 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol is Cc1cc(O)c2cc(CC(C)C)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol?
The InChIKey is LBSAVGLPAXZFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-14(2)9-17-12-18-19(10-15(3)11-20(18)22)21(17)13-16-7-5-4-6-8-16/h4-8,10-12,14,22H,9,13H2,1-3H3.
What are the key properties of 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol?
1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol has a molecular weight of 293.41 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methyl-2-(2-methylpropyl)indol-4-ol is sourced from PubChem (CID 58653198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).