2-(4-hydroxyphenyl)-1-propylindol-6-ol

C17H17NO2 — CID 13408379

IUPAC2-(4-hydroxyphenyl)-1-propylindol-6-ol
SMILESCCCn1c(-c2ccc(O)cc2)cc2ccc(O)cc21
InChIInChI=1S/C17H17NO2/c1-2-9-18-16(12-3-6-14(19)7-4-12)10-13-5-8-15(20)11-17(13)18/h3-8,10-11,19-20H,2,9H2,1H3
InChIKeyJJTNFUDTXGAETQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.13
Rot. Bonds3

About 2-(4-hydroxyphenyl)-1-propylindol-6-ol

2-(4-hydroxyphenyl)-1-propylindol-6-ol (PubChem CID 13408379) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-propylindol-6-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-propylindol-6-ol
PubChem CID13408379
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(4-hydroxyphenyl)-1-propylindol-6-ol
SMILESCCCn1c(-c2ccc(O)cc2)cc2ccc(O)cc21
InChIInChI=1S/C17H17NO2/c1-2-9-18-16(12-3-6-14(19)7-4-12)10-13-5-8-15(20)11-17(13)18/h3-8,10-11,19-20H,2,9H2,1H3
InChIKeyJJTNFUDTXGAETQ-UHFFFAOYSA-N
XLogP4.13
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.13
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 2-(4-hydroxyphenyl)-1-propylindol-6-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1-propylindol-6-ol (CID 13408379) is 2-(4-hydroxyphenyl)-1-propylindol-6-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-propylindol-6-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-propylindol-6-ol is CCCn1c(-c2ccc(O)cc2)cc2ccc(O)cc21.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-propylindol-6-ol?
The InChIKey is JJTNFUDTXGAETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-9-18-16(12-3-6-14(19)7-4-12)10-13-5-8-15(20)11-17(13)18/h3-8,10-11,19-20H,2,9H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-propylindol-6-ol?
2-(4-hydroxyphenyl)-1-propylindol-6-ol has a molecular weight of 267.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-propylindol-6-ol is sourced from PubChem (CID 13408379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).