[(Z)-4-phenylbut-3-en-2-yl] benzoate

C17H16O2 — CID 10444919

IUPAC[(Z)-4-phenylbut-3-en-2-yl] benzoate
SMILESCC(/C=C\c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-14(12-13-15-8-4-2-5-9-15)19-17(18)16-10-6-3-7-11-16/h2-14H,1H3/b13-12-
InChIKeyZXNUDHVOAXKCTH-SEYXRHQNSA-N
MW252.31 g/mol
LogP3.95
Rot. Bonds4

About [(Z)-4-phenylbut-3-en-2-yl] benzoate

[(Z)-4-phenylbut-3-en-2-yl] benzoate (PubChem CID 10444919) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is [(Z)-4-phenylbut-3-en-2-yl] benzoate.

Molecular Properties

Compound Name[(Z)-4-phenylbut-3-en-2-yl] benzoate
PubChem CID10444919
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name[(Z)-4-phenylbut-3-en-2-yl] benzoate
SMILESCC(/C=C\c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/C17H16O2/c1-14(12-13-15-8-4-2-5-9-15)19-17(18)16-10-6-3-7-11-16/h2-14H,1H3/b13-12-
InChIKeyZXNUDHVOAXKCTH-SEYXRHQNSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 15110199
[(2S,3E,5E)-7-oxohepta-3,5-dien-2-yl] benzoate
CID 10657084
[(E,1R,2R)-2-[(S)-hydroxy(phenyl)methyl]-1,4-diphenylbut-3-enyl] benzoate
CID 102467284
[(E)-4-phenylbut-3-en-2-yl] 2-prop-2-enoxyacetate
CID 10776819
[(E)-1,3-diphenylprop-2-enyl] 4-tert-butylbenzoate
CID 101260855
[(E)-3-phenyl-1-(4-phenylpyridin-1-ium-1-yl)prop-2-enyl] benzoate chloride
CID 44888277
[(E,3R)-5-oxo-1-phenyldec-1-en-3-yl] benzoate
CID 165413328
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
[(E,2R)-4-(4-methylphenyl)but-3-en-2-yl] pyridine-2-carboxylate
CID 101499826
(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
CID 15271770
[2,2,2-trichloro-1-[(E)-4-phenylbut-3-en-2-yl]oxyethyl] acetate
CID 101000329
1-phenylethyl benzoate
CID 174857426

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-phenylbut-3-en-2-yl] benzoate?
The IUPAC name of [(Z)-4-phenylbut-3-en-2-yl] benzoate (CID 10444919) is [(Z)-4-phenylbut-3-en-2-yl] benzoate.
What is the SMILES notation for [(Z)-4-phenylbut-3-en-2-yl] benzoate?
The canonical SMILES for [(Z)-4-phenylbut-3-en-2-yl] benzoate is CC(/C=C\c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of [(Z)-4-phenylbut-3-en-2-yl] benzoate?
The InChIKey is ZXNUDHVOAXKCTH-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H16O2/c1-14(12-13-15-8-4-2-5-9-15)19-17(18)16-10-6-3-7-11-16/h2-14H,1H3/b13-12-.
What are the key properties of [(Z)-4-phenylbut-3-en-2-yl] benzoate?
[(Z)-4-phenylbut-3-en-2-yl] benzoate has a molecular weight of 252.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-phenylbut-3-en-2-yl] benzoate is sourced from PubChem (CID 10444919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).