3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene

C20H20O2 — CID 171973332

IUPAC3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2cccc(OCc3ccccc3)c2)CC2CCC1O2
InChIInChI=1S/C20H20O2/c1-2-5-15(6-3-1)14-21-18-8-4-7-16(11-18)17-12-19-9-10-20(13-17)22-19/h1-8,11-12,19-20H,9-10,13-14H2
InChIKeyNALLIHVZEBWPOL-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.60
Rot. Bonds4

About 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene

3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 171973332) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID171973332
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2cccc(OCc3ccccc3)c2)CC2CCC1O2
InChIInChI=1S/C20H20O2/c1-2-5-15(6-3-1)14-21-18-8-4-7-16(11-18)17-12-19-9-10-20(13-17)22-19/h1-8,11-12,19-20H,9-10,13-14H2
InChIKeyNALLIHVZEBWPOL-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-phenylmethoxyphenyl)methyl]-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973078
(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene
CID 102075089
3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973331
[3-(3-phenylmethoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 102520214
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387
4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171968745
1-(8-oxabicyclo[3.2.1]octan-3-yl)-2-(3-phenylmethoxyphenyl)ethanone
CID 171939430
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
[2-(3-phenylmethoxyphenyl)pyrimidin-5-yl]methanol
CID 172877663
2-[(3-phenylmethoxyphenyl)methyl]cyclohexan-1-amine
CID 82185961
(3S)-3-(3-phenylmethoxyphenyl)morpholine
CID 171193333

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene (CID 171973332) is 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene is C1=C(c2cccc(OCc3ccccc3)c2)CC2CCC1O2.
What is the InChIKey of 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is NALLIHVZEBWPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-5-15(6-3-1)14-21-18-8-4-7-16(11-18)17-12-19-9-10-20(13-17)22-19/h1-8,11-12,19-20H,9-10,13-14H2.
What are the key properties of 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 292.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171973332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).