2-phenylethylcyclooctane

C16H24 — CID 54073487

IUPAC2-phenylethylcyclooctane
SMILESc1ccc(CCC2CCCCCCC2)cc1
InChIInChI=1S/C16H24/c1-2-5-9-15(10-6-3-1)13-14-16-11-7-4-8-12-16/h4,7-8,11-12,15H,1-3,5-6,9-10,13-14H2
InChIKeyDJYZFPDWCSFZSW-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.98
Rot. Bonds3

About 2-phenylethylcyclooctane

2-phenylethylcyclooctane (PubChem CID 54073487) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-phenylethylcyclooctane.

Molecular Properties

Compound Name2-phenylethylcyclooctane
PubChem CID54073487
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2-phenylethylcyclooctane
SMILESc1ccc(CCC2CCCCCCC2)cc1
InChIInChI=1S/C16H24/c1-2-5-9-15(10-6-3-1)13-14-16-11-7-4-8-12-16/h4,7-8,11-12,15H,1-3,5-6,9-10,13-14H2
InChIKeyDJYZFPDWCSFZSW-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-phenylethylcyclooctane 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

1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
2-[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl]ethylbenzene
CID 20724099
2-[4-(2-cyclohexylethyl)phenyl]ethanamine
CID 15036641
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
2-cyclopentyl-N-(2-phenylethyl)ethanamine
CID 54856926
4-(2-phenylethyl)-1-sulfanylazepane
CID 123467007
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
1-(2-cyclopentylethyl)-3-phenoxybenzene
CID 91806427
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
(1-cyclohexyl-5-phenylpentan-3-yl)hydrazine
CID 105285878

Frequently Asked Questions

What is the IUPAC name of 2-phenylethylcyclooctane?
The IUPAC name of 2-phenylethylcyclooctane (CID 54073487) is 2-phenylethylcyclooctane.
What is the SMILES notation for 2-phenylethylcyclooctane?
The canonical SMILES for 2-phenylethylcyclooctane is c1ccc(CCC2CCCCCCC2)cc1.
What is the InChIKey of 2-phenylethylcyclooctane?
The InChIKey is DJYZFPDWCSFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-2-5-9-15(10-6-3-1)13-14-16-11-7-4-8-12-16/h4,7-8,11-12,15H,1-3,5-6,9-10,13-14H2.
What are the key properties of 2-phenylethylcyclooctane?
2-phenylethylcyclooctane has a molecular weight of 216.37 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylcyclooctane is sourced from PubChem (CID 54073487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).