[(Z)-1-phenylpent-3-enyl] benzoate

C18H18O2 — CID 15142799

IUPAC[(Z)-1-phenylpent-3-enyl] benzoate
SMILESC/C=C\CC(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-3-14-17(15-10-6-4-7-11-15)20-18(19)16-12-8-5-9-13-16/h2-13,17H,14H2,1H3/b3-2-
InChIKeyUNDVTYLTUBKNRO-IHWYPQMZSA-N
MW266.34 g/mol
LogP4.55
Rot. Bonds5

About [(Z)-1-phenylpent-3-enyl] benzoate

[(Z)-1-phenylpent-3-enyl] benzoate (PubChem CID 15142799) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(Z)-1-phenylpent-3-enyl] benzoate.

Molecular Properties

Compound Name[(Z)-1-phenylpent-3-enyl] benzoate
PubChem CID15142799
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name[(Z)-1-phenylpent-3-enyl] benzoate
SMILESC/C=C\CC(OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2/c1-2-3-14-17(15-10-6-4-7-11-15)20-18(19)16-12-8-5-9-13-16/h2-13,17H,14H2,1H3/b3-2-
InChIKeyUNDVTYLTUBKNRO-IHWYPQMZSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.55
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

[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
1-phenylhexyl benzoate
CID 57263824
(2-benzoyloxy-2-phenylethyl)-ethyl-dimethylazanium
CID 24833212
[(E)-but-2-enyl] benzoate
CID 5352600
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
(1-oxo-1-phenylhex-4-en-2-yl) acetate
CID 70447043
(2-diethoxyphosphoryl-1-phenylethyl) benzoate
CID 56963886
1-phenylethyl benzoate
CID 174857426
(Z)-3-phenylhept-5-en-2-one
CID 5363833
1-phenylpropyl (E)-but-2-enoate
CID 22706710
methyl 2-phenylhex-4-enoate
CID 141185877
[(E)-hex-4-en-3-yl] benzoate
CID 134896656

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylpent-3-enyl] benzoate?
The IUPAC name of [(Z)-1-phenylpent-3-enyl] benzoate (CID 15142799) is [(Z)-1-phenylpent-3-enyl] benzoate.
What is the SMILES notation for [(Z)-1-phenylpent-3-enyl] benzoate?
The canonical SMILES for [(Z)-1-phenylpent-3-enyl] benzoate is C/C=C\CC(OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylpent-3-enyl] benzoate?
The InChIKey is UNDVTYLTUBKNRO-IHWYPQMZSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-3-14-17(15-10-6-4-7-11-15)20-18(19)16-12-8-5-9-13-16/h2-13,17H,14H2,1H3/b3-2-.
What are the key properties of [(Z)-1-phenylpent-3-enyl] benzoate?
[(Z)-1-phenylpent-3-enyl] benzoate has a molecular weight of 266.34 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylpent-3-enyl] benzoate is sourced from PubChem (CID 15142799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).