1-butyl-2-(4-hydroxyphenyl)indol-6-ol

C18H19NO2 — CID 13408380

IUPAC1-butyl-2-(4-hydroxyphenyl)indol-6-ol
SMILESCCCCn1c(-c2ccc(O)cc2)cc2ccc(O)cc21
InChIInChI=1S/C18H19NO2/c1-2-3-10-19-17(13-4-7-15(20)8-5-13)11-14-6-9-16(21)12-18(14)19/h4-9,11-12,20-21H,2-3,10H2,1H3
InChIKeyPTJCWTXFNYQASX-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.52
Rot. Bonds4

About 1-butyl-2-(4-hydroxyphenyl)indol-6-ol

1-butyl-2-(4-hydroxyphenyl)indol-6-ol (PubChem CID 13408380) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-butyl-2-(4-hydroxyphenyl)indol-6-ol.

Molecular Properties

Compound Name1-butyl-2-(4-hydroxyphenyl)indol-6-ol
PubChem CID13408380
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-butyl-2-(4-hydroxyphenyl)indol-6-ol
SMILESCCCCn1c(-c2ccc(O)cc2)cc2ccc(O)cc21
InChIInChI=1S/C18H19NO2/c1-2-3-10-19-17(13-4-7-15(20)8-5-13)11-14-6-9-16(21)12-18(14)19/h4-9,11-12,20-21H,2-3,10H2,1H3
InChIKeyPTJCWTXFNYQASX-UHFFFAOYSA-N
XLogP4.52
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Psilocin
CID 4980
6-Hydroxyindole
CID 524508
Harmalol
CID 3565
4-Hydroxycarbazole
CID 104251
4-HO-Met
CID 21786582
3H-Pyrido(3,4-b)indol-7-ol, 4,9-dihydro-1-methyl-, hydrochloride (1:1)
CID 145825
Deupsilocin
CID 117065176
ZK 119010
CID 130936
FA 70
CID 9816234
2-Hydroxycarbazole
CID 93551
Phenol, 4,4'-indole-2,3-diyldi-
CID 201385
3-(2-(Dimethylamino)ethyl)-1H-indol-6-ol
CID 15124

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4-hydroxyphenyl)indol-6-ol?
The IUPAC name of 1-butyl-2-(4-hydroxyphenyl)indol-6-ol (CID 13408380) is 1-butyl-2-(4-hydroxyphenyl)indol-6-ol.
What is the SMILES notation for 1-butyl-2-(4-hydroxyphenyl)indol-6-ol?
The canonical SMILES for 1-butyl-2-(4-hydroxyphenyl)indol-6-ol is CCCCn1c(-c2ccc(O)cc2)cc2ccc(O)cc21.
What is the InChIKey of 1-butyl-2-(4-hydroxyphenyl)indol-6-ol?
The InChIKey is PTJCWTXFNYQASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-3-10-19-17(13-4-7-15(20)8-5-13)11-14-6-9-16(21)12-18(14)19/h4-9,11-12,20-21H,2-3,10H2,1H3.
What are the key properties of 1-butyl-2-(4-hydroxyphenyl)indol-6-ol?
1-butyl-2-(4-hydroxyphenyl)indol-6-ol has a molecular weight of 281.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4-hydroxyphenyl)indol-6-ol is sourced from PubChem (CID 13408380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).