7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene

C15H18O2 — CID 585554

IUPAC7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
SMILESCOc1ccc(C2(OC)C3C=CC2CC3)cc1
InChIInChI=1S/C15H18O2/c1-16-14-9-7-13(8-10-14)15(17-2)11-3-4-12(15)6-5-11/h3-4,7-12H,5-6H2,1-2H3
InChIKeyKHTKYGRHDLGBCO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.13
Rot. Bonds3

About 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene

7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 585554) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
PubChem CID585554
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
SMILESCOc1ccc(C2(OC)C3C=CC2CC3)cc1
InChIInChI=1S/C15H18O2/c1-16-14-9-7-13(8-10-14)15(17-2)11-3-4-12(15)6-5-11/h3-4,7-12H,5-6H2,1-2H3
InChIKeyKHTKYGRHDLGBCO-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
7-(4-methoxyphenyl)bicyclo[4.1.0]heptan-7-ol
CID 79331888
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
2-[1-(4-methoxyphenyl)cyclopropyl]pyrrolidine
CID 83910096
1-(4-methoxyphenyl)-5-azabicyclo[2.1.1]hexane
CID 115059491
4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 146623806
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
1-methoxy-4-(1,3,4-trimethylcyclopent-3-en-1-yl)benzene
CID 10965945
1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
(1R,5S)-1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719822

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene (CID 585554) is 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene is COc1ccc(C2(OC)C3C=CC2CC3)cc1.
What is the InChIKey of 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is KHTKYGRHDLGBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-16-14-9-7-13(8-10-14)15(17-2)11-3-4-12(15)6-5-11/h3-4,7-12H,5-6H2,1-2H3.
What are the key properties of 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene?
7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 230.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-7-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 585554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).