5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene

C23H26O — CID 86080234

IUPAC5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(c1ccccc1)c1ccc(OCC2CC3C=CC2C3)cc1
InChIInChI=1S/C23H26O/c1-23(2,20-6-4-3-5-7-20)21-10-12-22(13-11-21)24-16-19-15-17-8-9-18(19)14-17/h3-13,17-19H,14-16H2,1-2H3
InChIKeyKFGVIIWPSJYBMN-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.60
Rot. Bonds5

About 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene

5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 86080234) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene
PubChem CID86080234
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene
SMILESCC(C)(c1ccccc1)c1ccc(OCC2CC3C=CC2C3)cc1
InChIInChI=1S/C23H26O/c1-23(2,20-6-4-3-5-7-20)21-10-12-22(13-11-21)24-16-19-15-17-8-9-18(19)14-17/h3-13,17-19H,14-16H2,1-2H3
InChIKeyKFGVIIWPSJYBMN-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R,5R)-5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 100999801
CID 22294495
CID 22294495
bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane
CID 22983009
(2R)-2-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
CID 153368265
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol
CID 115685647
2-[(4-tert-butylphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547454
[4-[2-[4-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)phenyl]propan-2-yl]phenyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 21273715
2-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]-5-[4-[5-(4-prop-1-en-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 88984277
1-benzyl-2-[[4-[2-[4-[(1-benzylaziridin-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]aziridine
CID 137491895
[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)naphthalen-1-yl] acetate
CID 68584443
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-phenylacetate
CID 98571872
1-(2-methylprop-2-enoxy)-4-(2-phenylpropan-2-yl)benzene
CID 139631745

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene (CID 86080234) is 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene is CC(C)(c1ccccc1)c1ccc(OCC2CC3C=CC2C3)cc1.
What is the InChIKey of 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is KFGVIIWPSJYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-23(2,20-6-4-3-5-7-20)21-10-12-22(13-11-21)24-16-19-15-17-8-9-18(19)14-17/h3-13,17-19H,14-16H2,1-2H3.
What are the key properties of 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene?
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 318.46 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 86080234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).