1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol

C18H19NO2 — CID 13408386

IUPAC1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol
SMILESCCc1c(-c2ccc(O)cc2)n(CC)c2cc(O)ccc12
InChIInChI=1S/C18H19NO2/c1-3-15-16-10-9-14(21)11-17(16)19(4-2)18(15)12-5-7-13(20)8-6-12/h5-11,20-21H,3-4H2,1-2H3
InChIKeyJKLPDOCWPCOLQW-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.30
Rot. Bonds3

About 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol

1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol (PubChem CID 13408386) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol.

Molecular Properties

Compound Name1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol
PubChem CID13408386
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol
SMILESCCc1c(-c2ccc(O)cc2)n(CC)c2cc(O)ccc12
InChIInChI=1S/C18H19NO2/c1-3-15-16-10-9-14(21)11-17(16)19(4-2)18(15)12-5-7-13(20)8-6-12/h5-11,20-21H,3-4H2,1-2H3
InChIKeyJKLPDOCWPCOLQW-UHFFFAOYSA-N
XLogP4.30
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol?
The IUPAC name of 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol (CID 13408386) is 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol.
What is the SMILES notation for 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol?
The canonical SMILES for 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol is CCc1c(-c2ccc(O)cc2)n(CC)c2cc(O)ccc12.
What is the InChIKey of 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol?
The InChIKey is JKLPDOCWPCOLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-15-16-10-9-14(21)11-17(16)19(4-2)18(15)12-5-7-13(20)8-6-12/h5-11,20-21H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol?
1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol has a molecular weight of 281.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(4-hydroxyphenyl)indol-6-ol is sourced from PubChem (CID 13408386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).