1-butyl-3-methylindol-6-ol

C13H17NO — CID 174461708

IUPAC1-butyl-3-methylindol-6-ol
SMILESCCCCn1cc(C)c2ccc(O)cc21
InChIInChI=1S/C13H17NO/c1-3-4-7-14-9-10(2)12-6-5-11(15)8-13(12)14/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyNXHAOTDFFTVNEO-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.46
Rot. Bonds3

About 1-butyl-3-methylindol-6-ol

1-butyl-3-methylindol-6-ol (PubChem CID 174461708) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-butyl-3-methylindol-6-ol.

Molecular Properties

Compound Name1-butyl-3-methylindol-6-ol
PubChem CID174461708
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-butyl-3-methylindol-6-ol
SMILESCCCCn1cc(C)c2ccc(O)cc21
InChIInChI=1S/C13H17NO/c1-3-4-7-14-9-10(2)12-6-5-11(15)8-13(12)14/h5-6,8-9,15H,3-4,7H2,1-2H3
InChIKeyNXHAOTDFFTVNEO-UHFFFAOYSA-N
XLogP3.46
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylindol-6-ol?
The IUPAC name of 1-butyl-3-methylindol-6-ol (CID 174461708) is 1-butyl-3-methylindol-6-ol.
What is the SMILES notation for 1-butyl-3-methylindol-6-ol?
The canonical SMILES for 1-butyl-3-methylindol-6-ol is CCCCn1cc(C)c2ccc(O)cc21.
What is the InChIKey of 1-butyl-3-methylindol-6-ol?
The InChIKey is NXHAOTDFFTVNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-4-7-14-9-10(2)12-6-5-11(15)8-13(12)14/h5-6,8-9,15H,3-4,7H2,1-2H3.
What are the key properties of 1-butyl-3-methylindol-6-ol?
1-butyl-3-methylindol-6-ol has a molecular weight of 203.28 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylindol-6-ol is sourced from PubChem (CID 174461708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).