1-ethyl-2-(3-hydroxyphenyl)indol-5-ol

C16H15NO2 — CID 13408403

IUPAC1-ethyl-2-(3-hydroxyphenyl)indol-5-ol
SMILESCCn1c(-c2cccc(O)c2)cc2cc(O)ccc21
InChIInChI=1S/C16H15NO2/c1-2-17-15-7-6-14(19)9-12(15)10-16(17)11-4-3-5-13(18)8-11/h3-10,18-19H,2H2,1H3
InChIKeyJMYNHXRRWCMGQH-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.74
Rot. Bonds2

About 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol

1-ethyl-2-(3-hydroxyphenyl)indol-5-ol (PubChem CID 13408403) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol.

Molecular Properties

Compound Name1-ethyl-2-(3-hydroxyphenyl)indol-5-ol
PubChem CID13408403
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-ethyl-2-(3-hydroxyphenyl)indol-5-ol
SMILESCCn1c(-c2cccc(O)c2)cc2cc(O)ccc21
InChIInChI=1S/C16H15NO2/c1-2-17-15-7-6-14(19)9-12(15)10-16(17)11-4-3-5-13(18)8-11/h3-10,18-19H,2H2,1H3
InChIKeyJMYNHXRRWCMGQH-UHFFFAOYSA-N
XLogP3.74
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol?
The IUPAC name of 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol (CID 13408403) is 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol.
What is the SMILES notation for 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol?
The canonical SMILES for 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol is CCn1c(-c2cccc(O)c2)cc2cc(O)ccc21.
What is the InChIKey of 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol?
The InChIKey is JMYNHXRRWCMGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-17-15-7-6-14(19)9-12(15)10-16(17)11-4-3-5-13(18)8-11/h3-10,18-19H,2H2,1H3.
What are the key properties of 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol?
1-ethyl-2-(3-hydroxyphenyl)indol-5-ol has a molecular weight of 253.30 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-hydroxyphenyl)indol-5-ol is sourced from PubChem (CID 13408403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).