2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol

C17H17NO — CID 172970575

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

About 2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol

2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol (PubChem CID 172970575) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol
PubChem CID172970575
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2[nH]c3cccc(C)c3c2C)c1
InChIInChI=1S/C17H17NO/c1-10-7-8-15(19)13(9-10)17-12(3)16-11(2)5-4-6-14(16)18-17/h4-9,18-19H,1-3H3
InChIKeyYRMXQXAJCDAYON-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-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol?
The IUPAC name of 2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol (CID 172970575) is 2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol?
The canonical SMILES for 2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol is Cc1ccc(O)c(-c2[nH]c3cccc(C)c3c2C)c1.
What is the InChIKey of 2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol?
The InChIKey is YRMXQXAJCDAYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-10-7-8-15(19)13(9-10)17-12(3)16-11(2)5-4-6-14(16)18-17/h4-9,18-19H,1-3H3.
What are the key properties of 2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol?
2-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol 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-(3,4-dimethyl-1H-indol-2-yl)-4-methylphenol is sourced from PubChem (CID 172970575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).