1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol

C18H23NO — CID 63467139

IUPAC1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCCc1cccc(CC)c1-n1ccc2c1CCCC2O
InChIInChI=1S/C18H23NO/c1-3-13-7-5-8-14(4-2)18(13)19-12-11-15-16(19)9-6-10-17(15)20/h5,7-8,11-12,17,20H,3-4,6,9-10H2,1-2H3
InChIKeyKFEQVTKFXXPHAQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.97
Rot. Bonds3

About 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol

1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 63467139) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID63467139
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCCc1cccc(CC)c1-n1ccc2c1CCCC2O
InChIInChI=1S/C18H23NO/c1-3-13-7-5-8-14(4-2)18(13)19-12-11-15-16(19)9-6-10-17(15)20/h5,7-8,11-12,17,20H,3-4,6,9-10H2,1-2H3
InChIKeyKFEQVTKFXXPHAQ-UHFFFAOYSA-N
XLogP3.97
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol (CID 63467139) is 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol is CCc1cccc(CC)c1-n1ccc2c1CCCC2O.
What is the InChIKey of 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is KFEQVTKFXXPHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-13-7-5-8-14(4-2)18(13)19-12-11-15-16(19)9-6-10-17(15)20/h5,7-8,11-12,17,20H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 269.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 63467139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).