2-methyl-2H-indol-4-ol

C9H9NO — CID 135829455

IUPAC2-methyl-2H-indol-4-ol
SMILESCC1C=c2c(O)cccc2=N1
InChIInChI=1S/C9H9NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-6,11H,1H3
InChIKeyXMEQWKRWQRZVAY-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.19
Rot. Bonds

About 2-methyl-2H-indol-4-ol

2-methyl-2H-indol-4-ol (PubChem CID 135829455) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-methyl-2H-indol-4-ol.

Molecular Properties

Compound Name2-methyl-2H-indol-4-ol
PubChem CID135829455
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-methyl-2H-indol-4-ol
SMILESCC1C=c2c(O)cccc2=N1
InChIInChI=1S/C9H9NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-6,11H,1H3
InChIKeyXMEQWKRWQRZVAY-UHFFFAOYSA-N
XLogP0.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-indol-4-ol?
The IUPAC name of 2-methyl-2H-indol-4-ol (CID 135829455) is 2-methyl-2H-indol-4-ol.
What is the SMILES notation for 2-methyl-2H-indol-4-ol?
The canonical SMILES for 2-methyl-2H-indol-4-ol is CC1C=c2c(O)cccc2=N1.
What is the InChIKey of 2-methyl-2H-indol-4-ol?
The InChIKey is XMEQWKRWQRZVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-6,11H,1H3.
What are the key properties of 2-methyl-2H-indol-4-ol?
2-methyl-2H-indol-4-ol has a molecular weight of 147.18 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-indol-4-ol is sourced from PubChem (CID 135829455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).