5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol

C15H18O2 — CID 141218272

IUPAC5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol
SMILESCOc1cccc(C2=CC3CCC2CC3O)c1
InChIInChI=1S/C15H18O2/c1-17-13-4-2-3-10(7-13)14-8-12-6-5-11(14)9-15(12)16/h2-4,7-8,11-12,15-16H,5-6,9H2,1H3
InChIKeyKSRUTMUUGXMXHU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds2

About 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol

5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol (PubChem CID 141218272) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol.

Molecular Properties

Compound Name5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol
PubChem CID141218272
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol
SMILESCOc1cccc(C2=CC3CCC2CC3O)c1
InChIInChI=1S/C15H18O2/c1-17-13-4-2-3-10(7-13)14-8-12-6-5-11(14)9-15(12)16/h2-4,7-8,11-12,15-16H,5-6,9H2,1H3
InChIKeyKSRUTMUUGXMXHU-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methoxyphenyl)-4-methylbicyclo[3.2.1]oct-2-ene
CID 173469568
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
(1S,2R,5S)-3-(3-methoxyphenyl)-N,N-dimethylbicyclo[3.2.1]oct-3-en-2-amine
CID 129404207
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
1-[(2S)-3-(3-methoxyphenyl)-2-bicyclo[3.2.1]oct-3-enyl]-N,N-dimethylmethanamine
CID 140615931
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129391570
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
[(1S,3S)-3-(3-methoxyphenyl)cyclopentyl]methanol
CID 125472378

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol?
The IUPAC name of 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol (CID 141218272) is 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol.
What is the SMILES notation for 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol?
The canonical SMILES for 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol is COc1cccc(C2=CC3CCC2CC3O)c1.
What is the InChIKey of 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol?
The InChIKey is KSRUTMUUGXMXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-17-13-4-2-3-10(7-13)14-8-12-6-5-11(14)9-15(12)16/h2-4,7-8,11-12,15-16H,5-6,9H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol?
5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol has a molecular weight of 230.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)bicyclo[2.2.2]oct-5-en-2-ol is sourced from PubChem (CID 141218272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).