1-ethoxy-4-phenylbicyclo[2.2.2]octane

C16H22O — CID 71328656

IUPAC1-ethoxy-4-phenylbicyclo[2.2.2]octane
SMILESCCOC12CCC(c3ccccc3)(CC1)CC2
InChIInChI=1S/C16H22O/c1-2-17-16-11-8-15(9-12-16,10-13-16)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyHGESQXJMBULPCR-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.07
Rot. Bonds3

About 1-ethoxy-4-phenylbicyclo[2.2.2]octane

1-ethoxy-4-phenylbicyclo[2.2.2]octane (PubChem CID 71328656) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-ethoxy-4-phenylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethoxy-4-phenylbicyclo[2.2.2]octane
PubChem CID71328656
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-ethoxy-4-phenylbicyclo[2.2.2]octane
SMILESCCOC12CCC(c3ccccc3)(CC1)CC2
InChIInChI=1S/C16H22O/c1-2-17-16-11-8-15(9-12-16,10-13-16)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyHGESQXJMBULPCR-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-4-phenylbicyclo[2.2.2]octane
CID 134223965
[(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene
CID 102019429
[(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene
CID 130756421
2-ethoxy-2-phenyl-1,3-dioxane
CID 86143567
pentakis(4-(4-heptoxy-1-bicyclo[2.2.2]octanyl)benzenethiol);pentahydrofluoride
CID 173376192
(1-propoxycyclobutyl)benzene
CID 57027852
1-ethenyl-4-phenylbicyclo[2.2.2]octane
CID 86123048
2-ethoxy-2-phenyl-1,3-dioxane-4,6-dione
CID 154445395
CID 177449695
CID 177449695
(1S,2R,5S,6R)-2,6-diethoxy-1,5-dimethyl-2,6-diphenyl-3,7-dioxabicyclo[3.3.1]nonane
CID 101398010
9-ethoxy-9-phenyl-10H-acridine
CID 14400633
N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine
CID 134421759

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-phenylbicyclo[2.2.2]octane?
The IUPAC name of 1-ethoxy-4-phenylbicyclo[2.2.2]octane (CID 71328656) is 1-ethoxy-4-phenylbicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethoxy-4-phenylbicyclo[2.2.2]octane?
The canonical SMILES for 1-ethoxy-4-phenylbicyclo[2.2.2]octane is CCOC12CCC(c3ccccc3)(CC1)CC2.
What is the InChIKey of 1-ethoxy-4-phenylbicyclo[2.2.2]octane?
The InChIKey is HGESQXJMBULPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-2-17-16-11-8-15(9-12-16,10-13-16)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 1-ethoxy-4-phenylbicyclo[2.2.2]octane?
1-ethoxy-4-phenylbicyclo[2.2.2]octane has a molecular weight of 230.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-phenylbicyclo[2.2.2]octane is sourced from PubChem (CID 71328656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).