2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol

C17H17NO — CID 172970561

IUPAC2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol
SMILESCc1ccc(C)c(-c2[nH]c3cccc(O)c3c2C)c1
InChIInChI=1S/C17H17NO/c1-10-7-8-11(2)13(9-10)17-12(3)16-14(18-17)5-4-6-15(16)19/h4-9,18-19H,1-3H3
InChIKeyCJNAAOWJHZUWLN-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.47
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol

2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol (PubChem CID 172970561) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol
PubChem CID172970561
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol
SMILESCc1ccc(C)c(-c2[nH]c3cccc(O)c3c2C)c1
InChIInChI=1S/C17H17NO/c1-10-7-8-11(2)13(9-10)17-12(3)16-14(18-17)5-4-6-15(16)19/h4-9,18-19H,1-3H3
InChIKeyCJNAAOWJHZUWLN-UHFFFAOYSA-N
XLogP4.47
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol (CID 172970561) is 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol is Cc1ccc(C)c(-c2[nH]c3cccc(O)c3c2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol?
The InChIKey is CJNAAOWJHZUWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-10-7-8-11(2)13(9-10)17-12(3)16-14(18-17)5-4-6-15(16)19/h4-9,18-19H,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol?
2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol has a molecular weight of 251.33 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-methyl-1H-indol-4-ol is sourced from PubChem (CID 172970561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).