prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate

C18H16O2 — CID 67876110

IUPACprop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
SMILESC=CCOC(=O)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C18H16O2/c1-2-14-20-18(19)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h2-13H,1,14H2/b13-12+
InChIKeyGCDXNZFQUQKSBR-OUKQBFOZSA-N
MW264.32 g/mol
LogP4.20
Rot. Bonds5

About prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate

prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate (PubChem CID 67876110) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
PubChem CID67876110
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Nameprop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
SMILESC=CCOC(=O)c1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C18H16O2/c1-2-14-20-18(19)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h2-13H,1,14H2/b13-12+
InChIKeyGCDXNZFQUQKSBR-OUKQBFOZSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
prop-2-enyl 2-carboxyoxybenzoate
CID 68885826
1-phenyl-2-[2-(2-phenylethenyl)phenyl]ethane-1,2-dione
CID 141311966
sodium 2-prop-2-enoxycarbonylphenolate
CID 66916174
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
formic acid;prop-2-enyl benzoate
CID 174813743
[(E)-3-phenylprop-2-enyl] 2-methylbenzoate
CID 15365126
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
CID 46868614
1-O-pent-4-enyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 12031226

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate?
The IUPAC name of prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate (CID 67876110) is prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate.
What is the SMILES notation for prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate?
The canonical SMILES for prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate is C=CCOC(=O)c1ccccc1/C=C/c1ccccc1.
What is the InChIKey of prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate?
The InChIKey is GCDXNZFQUQKSBR-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H16O2/c1-2-14-20-18(19)17-11-7-6-10-16(17)13-12-15-8-4-3-5-9-15/h2-13H,1,14H2/b13-12+.
What are the key properties of prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate?
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate has a molecular weight of 264.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate is sourced from PubChem (CID 67876110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).