1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol

C17H17NO2 — CID 13408382

IUPAC1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol
SMILESCCn1c(-c2ccc(O)cc2)c(C)c2ccc(O)cc21
InChIInChI=1S/C17H17NO2/c1-3-18-16-10-14(20)8-9-15(16)11(2)17(18)12-4-6-13(19)7-5-12/h4-10,19-20H,3H2,1-2H3
InChIKeyNZOXLJHRDLTJCP-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.05
Rot. Bonds2

About 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol

1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol (PubChem CID 13408382) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol.

Molecular Properties

Compound Name1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol
PubChem CID13408382
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol
SMILESCCn1c(-c2ccc(O)cc2)c(C)c2ccc(O)cc21
InChIInChI=1S/C17H17NO2/c1-3-18-16-10-14(20)8-9-15(16)11(2)17(18)12-4-6-13(19)7-5-12/h4-10,19-20H,3H2,1-2H3
InChIKeyNZOXLJHRDLTJCP-UHFFFAOYSA-N
XLogP4.05
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol?
The IUPAC name of 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol (CID 13408382) is 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol.
What is the SMILES notation for 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol?
The canonical SMILES for 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol is CCn1c(-c2ccc(O)cc2)c(C)c2ccc(O)cc21.
What is the InChIKey of 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol?
The InChIKey is NZOXLJHRDLTJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-18-16-10-14(20)8-9-15(16)11(2)17(18)12-4-6-13(19)7-5-12/h4-10,19-20H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol?
1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol has a molecular weight of 267.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-hydroxyphenyl)-3-methylindol-6-ol is sourced from PubChem (CID 13408382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).