prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate

C25H24O3 — CID 70364364

IUPACprop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate
SMILESC=CCOC(=O)C1(OCC=C)C=CC(c2ccc(-c3ccccc3)cc2)=CC1
InChIInChI=1S/C25H24O3/c1-3-18-27-24(26)25(28-19-4-2)16-14-23(15-17-25)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h3-16H,1-2,17-19H2
InChIKeyRYKRYWUYOPKZIN-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.37
Rot. Bonds8

About prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate

prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate (PubChem CID 70364364) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate
PubChem CID70364364
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Nameprop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate
SMILESC=CCOC(=O)C1(OCC=C)C=CC(c2ccc(-c3ccccc3)cc2)=CC1
InChIInChI=1S/C25H24O3/c1-3-18-27-24(26)25(28-19-4-2)16-14-23(15-17-25)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h3-16H,1-2,17-19H2
InChIKeyRYKRYWUYOPKZIN-UHFFFAOYSA-N
XLogP5.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate (CID 70364364) is prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate is C=CCOC(=O)C1(OCC=C)C=CC(c2ccc(-c3ccccc3)cc2)=CC1.
What is the InChIKey of prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate?
The InChIKey is RYKRYWUYOPKZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c1-3-18-27-24(26)25(28-19-4-2)16-14-23(15-17-25)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h3-16H,1-2,17-19H2.
What are the key properties of prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate?
prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate has a molecular weight of 372.46 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(4-phenylphenyl)-1-prop-2-enoxycyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 70364364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).