3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene

C18H18O2 — CID 171974798

IUPAC3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESCOc1ccc2cc(C3=CC4CCC(C3)O4)ccc2c1
InChIInChI=1S/C18H18O2/c1-19-16-5-4-12-8-13(2-3-14(12)9-16)15-10-17-6-7-18(11-15)20-17/h2-5,8-10,17-18H,6-7,11H2,1H3
InChIKeyLOZXIOYAMHTLAK-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.18
Rot. Bonds2

About 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene

3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 171974798) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID171974798
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESCOc1ccc2cc(C3=CC4CCC(C3)O4)ccc2c1
InChIInChI=1S/C18H18O2/c1-19-16-5-4-12-8-13(2-3-14(12)9-16)15-10-17-6-7-18(11-15)20-17/h2-5,8-10,17-18H,6-7,11H2,1H3
InChIKeyLOZXIOYAMHTLAK-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-phenoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171974524
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
3-anthracen-9-yl-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973362
2-methoxy-6-phenylnaphthalene
CID 11253308
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
CID 58556071
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 135075425
2-(6-methoxynaphthalen-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 11348131
2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
CID 20500113

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene (CID 171974798) is 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene is COc1ccc2cc(C3=CC4CCC(C3)O4)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is LOZXIOYAMHTLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-19-16-5-4-12-8-13(2-3-14(12)9-16)15-10-17-6-7-18(11-15)20-17/h2-5,8-10,17-18H,6-7,11H2,1H3.
What are the key properties of 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene?
3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 266.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171974798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).