1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole

C16H21NO — CID 70581540

IUPAC1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESON1C(C=Cc2ccccc2)CC2CCCCC21
InChIInChI=1S/C16H21NO/c18-17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)17/h1-3,6-7,10-11,14-16,18H,4-5,8-9,12H2
InChIKeyOWMPYLIFJZVBKR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.72
Rot. Bonds2

About 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole

1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 70581540) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID70581540
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESON1C(C=Cc2ccccc2)CC2CCCCC21
InChIInChI=1S/C16H21NO/c18-17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)17/h1-3,6-7,10-11,14-16,18H,4-5,8-9,12H2
InChIKeyOWMPYLIFJZVBKR-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 70581540) is 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole is ON1C(C=Cc2ccccc2)CC2CCCCC21.
What is the InChIKey of 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is OWMPYLIFJZVBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-17-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)17/h1-3,6-7,10-11,14-16,18H,4-5,8-9,12H2.
What are the key properties of 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 243.35 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(2-phenylethenyl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 70581540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).