prop-2-enyl 3-phenylbenzoate

C16H14O2 — CID 22594829

IUPACprop-2-enyl 3-phenylbenzoate
SMILESC=CCOC(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H14O2/c1-2-11-18-16(17)15-10-6-9-14(12-15)13-7-4-3-5-8-13/h2-10,12H,1,11H2
InChIKeyPSRUXSKHGNABBU-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.70
Rot. Bonds4

About prop-2-enyl 3-phenylbenzoate

prop-2-enyl 3-phenylbenzoate (PubChem CID 22594829) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is prop-2-enyl 3-phenylbenzoate.

Molecular Properties

Compound Nameprop-2-enyl 3-phenylbenzoate
PubChem CID22594829
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Nameprop-2-enyl 3-phenylbenzoate
SMILESC=CCOC(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H14O2/c1-2-11-18-16(17)15-10-6-9-14(12-15)13-7-4-3-5-8-13/h2-10,12H,1,11H2
InChIKeyPSRUXSKHGNABBU-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
formic acid;prop-2-enyl benzoate
CID 174813743
prop-2-enyl 3-aminobenzoate;hydrochloride
CID 18930598
prop-2-enyl 3-(2-fluorocyclopenten-1-yl)benzoate
CID 69448726
prop-2-enyl 3-(prop-2-enoxymethyl)benzoate
CID 167216465
2-[2-(3-prop-2-enoxycarbonylphenyl)-1,3-oxazol-4-yl]acetic acid
CID 174407179
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
4-prop-2-enoxycarbonylbenzoic acid
CID 18349855
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
benzyl 3-(3-formylphenyl)benzoate
CID 177345183

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-phenylbenzoate?
The IUPAC name of prop-2-enyl 3-phenylbenzoate (CID 22594829) is prop-2-enyl 3-phenylbenzoate.
What is the SMILES notation for prop-2-enyl 3-phenylbenzoate?
The canonical SMILES for prop-2-enyl 3-phenylbenzoate is C=CCOC(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of prop-2-enyl 3-phenylbenzoate?
The InChIKey is PSRUXSKHGNABBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-2-11-18-16(17)15-10-6-9-14(12-15)13-7-4-3-5-8-13/h2-10,12H,1,11H2.
What are the key properties of prop-2-enyl 3-phenylbenzoate?
prop-2-enyl 3-phenylbenzoate has a molecular weight of 238.29 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-phenylbenzoate is sourced from PubChem (CID 22594829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).