ethyl 4-[(Z)-but-2-en-2-yl]benzoate

C13H16O2 — CID 145025321

IUPACethyl 4-[(Z)-but-2-en-2-yl]benzoate
SMILESC/C=C(/C)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C13H16O2/c1-4-10(3)11-6-8-12(9-7-11)13(14)15-5-2/h4,6-9H,5H2,1-3H3/b10-4-
InChIKeyZIHLWAOMUPAMFV-WMZJFQQLSA-N
MW204.27 g/mol
LogP3.29
Rot. Bonds3

About ethyl 4-[(Z)-but-2-en-2-yl]benzoate

ethyl 4-[(Z)-but-2-en-2-yl]benzoate (PubChem CID 145025321) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl 4-[(Z)-but-2-en-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(Z)-but-2-en-2-yl]benzoate
PubChem CID145025321
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nameethyl 4-[(Z)-but-2-en-2-yl]benzoate
SMILESC/C=C(/C)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C13H16O2/c1-4-10(3)11-6-8-12(9-7-11)13(14)15-5-2/h4,6-9H,5H2,1-3H3/b10-4-
InChIKeyZIHLWAOMUPAMFV-WMZJFQQLSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
[amino-(4-ethoxycarbonylphenyl)methylidene]azanium chloride
CID 67790291
ethyl 4-(3-methylbut-2-enoyl)benzoate
CID 91373668
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 4-aminobenzoate
CID 2337
(4-ethoxycarbonylphenyl)-λ2-stannane
CID 173440121
ethyl 4-prop-2-enoylbenzoate
CID 14093547
butane;ethyl 4-aminobenzoate
CID 67389405
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(Z)-but-2-en-2-yl]benzoate?
The IUPAC name of ethyl 4-[(Z)-but-2-en-2-yl]benzoate (CID 145025321) is ethyl 4-[(Z)-but-2-en-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[(Z)-but-2-en-2-yl]benzoate?
The canonical SMILES for ethyl 4-[(Z)-but-2-en-2-yl]benzoate is C/C=C(/C)c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[(Z)-but-2-en-2-yl]benzoate?
The InChIKey is ZIHLWAOMUPAMFV-WMZJFQQLSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-10(3)11-6-8-12(9-7-11)13(14)15-5-2/h4,6-9H,5H2,1-3H3/b10-4-.
What are the key properties of ethyl 4-[(Z)-but-2-en-2-yl]benzoate?
ethyl 4-[(Z)-but-2-en-2-yl]benzoate has a molecular weight of 204.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(Z)-but-2-en-2-yl]benzoate is sourced from PubChem (CID 145025321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).