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

C20H20O2 — CID 171973331

IUPAC3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2OCc2ccccc2)CC2CCC1O2
InChIInChI=1S/C20H20O2/c1-2-6-15(7-3-1)14-21-20-9-5-4-8-19(20)16-12-17-10-11-18(13-16)22-17/h1-9,12,17-18H,10-11,13-14H2
InChIKeyDXTOXSPLNLFBMV-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.60
Rot. Bonds4

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

3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 171973331) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID171973331
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2OCc2ccccc2)CC2CCC1O2
InChIInChI=1S/C20H20O2/c1-2-6-15(7-3-1)14-21-20-9-5-4-8-19(20)16-12-17-10-11-18(13-16)22-17/h1-9,12,17-18H,10-11,13-14H2
InChIKeyDXTOXSPLNLFBMV-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)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973332
3-[(3-phenylmethoxyphenyl)methyl]-8-oxabicyclo[3.2.1]oct-2-ene
CID 171973078
8-benzyl-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171967717
(1S,5R)-3-phenyl-8-oxabicyclo[3.2.1]oct-2-ene
CID 102075089
benzyl 3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 171967107
4-(2-phenylmethoxyphenyl)triazine
CID 129278501
4-(8-oxabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171968745
9H-fluoren-9-ylmethyl 7-(2-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
CID 171965184
2,3-diisocyano-1,4-bis(2-phenylmethoxyphenyl)benzene
CID 101487258
2-[4-(2-phenylmethoxyphenyl)phenyl]furan
CID 168526553
9-benzyl-3-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971041
1-iodo-4-[(2-phenylphenoxy)methyl]benzene
CID 65489526

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene (CID 171973331) is 3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene is C1=C(c2ccccc2OCc2ccccc2)CC2CCC1O2.
What is the InChIKey of 3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is DXTOXSPLNLFBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-6-15(7-3-1)14-21-20-9-5-4-8-19(20)16-12-17-10-11-18(13-16)22-17/h1-9,12,17-18H,10-11,13-14H2.
What are the key properties of 3-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene?
3-(2-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-(2-phenylmethoxyphenyl)-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171973331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).