2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol

C16H23NO — CID 82983162

IUPAC2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol
SMILESCC(c1ccccc1O)N1CCC2CCCCC21
InChIInChI=1S/C16H23NO/c1-12(14-7-3-5-9-16(14)18)17-11-10-13-6-2-4-8-15(13)17/h3,5,7,9,12-13,15,18H,2,4,6,8,10-11H2,1H3
InChIKeyXLNCNQPGUSRBIO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.72
Rot. Bonds2

About 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol

2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol (PubChem CID 82983162) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol
PubChem CID82983162
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol
SMILESCC(c1ccccc1O)N1CCC2CCCCC21
InChIInChI=1S/C16H23NO/c1-12(14-7-3-5-9-16(14)18)17-11-10-13-6-2-4-8-15(13)17/h3,5,7,9,12-13,15,18H,2,4,6,8,10-11H2,1H3
InChIKeyXLNCNQPGUSRBIO-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 ≤ 500245.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]-4-chlorophenol
CID 82982851
2-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propyl]phenol
CID 82981782
2-[1-(2-cyclopentylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82956837
2-[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)ethyl]-5-methoxyphenol
CID 82980642
2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
CID 104969310
4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]aniline
CID 82747100
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-methylphenyl)propan-1-one
CID 82750049
(3aR,7aR)-1-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130978480
1-[4-[1-(2-hydroxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 82974185
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide
CID 82750365
2-[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-5-fluorophenol
CID 82985649

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol?
The IUPAC name of 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol (CID 82983162) is 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol.
What is the SMILES notation for 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol?
The canonical SMILES for 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol is CC(c1ccccc1O)N1CCC2CCCCC21.
What is the InChIKey of 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol?
The InChIKey is XLNCNQPGUSRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(14-7-3-5-9-16(14)18)17-11-10-13-6-2-4-8-15(13)17/h3,5,7,9,12-13,15,18H,2,4,6,8,10-11H2,1H3.
What are the key properties of 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol?
2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol has a molecular weight of 245.37 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 2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]phenol is sourced from PubChem (CID 82983162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).