7-chloro-3-methyl-1H-indol-4-ol

C9H8ClNO — CID 131972082

IUPAC7-chloro-3-methyl-1H-indol-4-ol
SMILESCc1c[nH]c2c(Cl)ccc(O)c12
InChIInChI=1S/C9H8ClNO/c1-5-4-11-9-6(10)2-3-7(12)8(5)9/h2-4,11-12H,1H3
InChIKeyMWKJWYRDNRLBNL-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.84
Rot. Bonds

About 7-chloro-3-methyl-1H-indol-4-ol

7-chloro-3-methyl-1H-indol-4-ol (PubChem CID 131972082) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 7-chloro-3-methyl-1H-indol-4-ol.

Molecular Properties

Compound Name7-chloro-3-methyl-1H-indol-4-ol
PubChem CID131972082
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name7-chloro-3-methyl-1H-indol-4-ol
SMILESCc1c[nH]c2c(Cl)ccc(O)c12
InChIInChI=1S/C9H8ClNO/c1-5-4-11-9-6(10)2-3-7(12)8(5)9/h2-4,11-12H,1H3
InChIKeyMWKJWYRDNRLBNL-UHFFFAOYSA-N
XLogP2.84
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-1H-indol-4-ol?
The IUPAC name of 7-chloro-3-methyl-1H-indol-4-ol (CID 131972082) is 7-chloro-3-methyl-1H-indol-4-ol.
What is the SMILES notation for 7-chloro-3-methyl-1H-indol-4-ol?
The canonical SMILES for 7-chloro-3-methyl-1H-indol-4-ol is Cc1c[nH]c2c(Cl)ccc(O)c12.
What is the InChIKey of 7-chloro-3-methyl-1H-indol-4-ol?
The InChIKey is MWKJWYRDNRLBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c1-5-4-11-9-6(10)2-3-7(12)8(5)9/h2-4,11-12H,1H3.
What are the key properties of 7-chloro-3-methyl-1H-indol-4-ol?
7-chloro-3-methyl-1H-indol-4-ol has a molecular weight of 181.62 g/mol, XLogP of 2.84, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-1H-indol-4-ol is sourced from PubChem (CID 131972082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).