4-chloro-1-methylindol-5-ol

C9H8ClNO — CID 84658234

IUPAC4-chloro-1-methylindol-5-ol
SMILESCn1ccc2c(Cl)c(O)ccc21
InChIInChI=1S/C9H8ClNO/c1-11-5-4-6-7(11)2-3-8(12)9(6)10/h2-5,12H,1H3
InChIKeyOKFPQKIUISGAEE-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.54
Rot. Bonds

About 4-chloro-1-methylindol-5-ol

4-chloro-1-methylindol-5-ol (PubChem CID 84658234) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 4-chloro-1-methylindol-5-ol.

Molecular Properties

Compound Name4-chloro-1-methylindol-5-ol
PubChem CID84658234
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name4-chloro-1-methylindol-5-ol
SMILESCn1ccc2c(Cl)c(O)ccc21
InChIInChI=1S/C9H8ClNO/c1-11-5-4-6-7(11)2-3-8(12)9(6)10/h2-5,12H,1H3
InChIKeyOKFPQKIUISGAEE-UHFFFAOYSA-N
XLogP2.54
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylindol-5-ol?
The IUPAC name of 4-chloro-1-methylindol-5-ol (CID 84658234) is 4-chloro-1-methylindol-5-ol.
What is the SMILES notation for 4-chloro-1-methylindol-5-ol?
The canonical SMILES for 4-chloro-1-methylindol-5-ol is Cn1ccc2c(Cl)c(O)ccc21.
What is the InChIKey of 4-chloro-1-methylindol-5-ol?
The InChIKey is OKFPQKIUISGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c1-11-5-4-6-7(11)2-3-8(12)9(6)10/h2-5,12H,1H3.
What are the key properties of 4-chloro-1-methylindol-5-ol?
4-chloro-1-methylindol-5-ol has a molecular weight of 181.62 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylindol-5-ol is sourced from PubChem (CID 84658234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).