3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene

C16H20O — CID 173469568

IUPAC3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene
SMILESCOc1cccc(C2=CC3CCC(C3)C2C)c1
InChIInChI=1S/C16H20O/c1-11-13-7-6-12(8-13)9-16(11)14-4-3-5-15(10-14)17-2/h3-5,9-13H,6-8H2,1-2H3
InChIKeyXFFDTNCLYZCRHK-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.14
Rot. Bonds2

About 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene

3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene (PubChem CID 173469568) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene
PubChem CID173469568
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene
SMILESCOc1cccc(C2=CC3CCC(C3)C2C)c1
InChIInChI=1S/C16H20O/c1-11-13-7-6-12(8-13)9-16(11)14-4-3-5-15(10-14)17-2/h3-5,9-13H,6-8H2,1-2H3
InChIKeyXFFDTNCLYZCRHK-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,5S)-3-(3-methoxyphenyl)-N,N-dimethylbicyclo[3.2.1]oct-3-en-2-amine
CID 129404207
1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine
CID 140615931
5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol
CID 141218272
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(4-methylcyclohexen-1-yl)benzene
CID 67868072
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-[3-(3-methoxyphenyl)phenoxy]-8-azabicyclo[3.2.1]octane
CID 66882259
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene (CID 173469568) is 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene is COc1cccc(C2=CC3CCC(C3)C2C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene?
The InChIKey is XFFDTNCLYZCRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-11-13-7-6-12(8-13)9-16(11)14-4-3-5-15(10-14)17-2/h3-5,9-13H,6-8H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene?
3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene has a molecular weight of 228.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 173469568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).