1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol

C16H17NO — CID 70867642

IUPAC1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol
SMILESCc1ccc(CN2CCc3cccc(O)c32)cc1
InChIInChI=1S/C16H17NO/c1-12-5-7-13(8-6-12)11-17-10-9-14-3-2-4-15(18)16(14)17/h2-8,18H,9-11H2,1H3
InChIKeyUDFBPFMJNZFVGZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.26
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol

1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol (PubChem CID 70867642) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol
PubChem CID70867642
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol
SMILESCc1ccc(CN2CCc3cccc(O)c32)cc1
InChIInChI=1S/C16H17NO/c1-12-5-7-13(8-6-12)11-17-10-9-14-3-2-4-15(18)16(14)17/h2-8,18H,9-11H2,1H3
InChIKeyUDFBPFMJNZFVGZ-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol?
The IUPAC name of 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol (CID 70867642) is 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol is Cc1ccc(CN2CCc3cccc(O)c32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol?
The InChIKey is UDFBPFMJNZFVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-5-7-13(8-6-12)11-17-10-9-14-3-2-4-15(18)16(14)17/h2-8,18H,9-11H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol?
1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol has a molecular weight of 239.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-2,3-dihydroindol-7-ol is sourced from PubChem (CID 70867642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).