(4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

C20H18O2 — CID 21359240

IUPAC(4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)C1CC2C=CC1C2
InChIInChI=1S/C20H18O2/c21-20(19-13-14-6-7-17(19)12-14)22-18-10-8-16(9-11-18)15-4-2-1-3-5-15/h1-11,14,17,19H,12-13H2
InChIKeyZJOUWWBDMCWNLL-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.47
Rot. Bonds3

About (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate

(4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 21359240) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID21359240
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name(4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)C1CC2C=CC1C2
InChIInChI=1S/C20H18O2/c21-20(19-13-14-6-7-17(19)12-14)22-18-10-8-16(9-11-18)15-4-2-1-3-5-15/h1-11,14,17,19H,12-13H2
InChIKeyZJOUWWBDMCWNLL-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 2898
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CID 43046
p-CRESYL PHENYLACETATE
CID 60997
Estrone acetate
CID 92846
p-Tolyl laurate
CID 61434
Dienestrol diacetate
CID 5805243
3-Tolyl phenylacetate
CID 67146
bisphenol A dimethacrylate
CID 76739
4,4'-(1,2-Diethylethylene)diphenyl dipropionate
CID 107342
3-(4-Benzyloxyphenyl)propionic acid
CID 561372

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 21359240) is (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is O=C(Oc1ccc(-c2ccccc2)cc1)C1CC2C=CC1C2.
What is the InChIKey of (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is ZJOUWWBDMCWNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c21-20(19-13-14-6-7-17(19)12-14)22-18-10-8-16(9-11-18)15-4-2-1-3-5-15/h1-11,14,17,19H,12-13H2.
What are the key properties of (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate?
(4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 21359240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).