[(Z)-hex-3-enyl] 2-phenylacetate

C14H18O2 — CID 5367698

IUPAC[(Z)-hex-3-enyl] 2-phenylacetate
SMILESCC/C=C\CCOC(=O)Cc1ccccc1
InChIInChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
InChIKeyFJKFIIYSBXHBCT-ARJAWSKDSA-N
MW218.30 g/mol
LogP3.13
Rot. Bonds6

About [(Z)-hex-3-enyl] 2-phenylacetate

[(Z)-hex-3-enyl] 2-phenylacetate (PubChem CID 5367698) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 2-phenylacetate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 2-phenylacetate
PubChem CID5367698
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name[(Z)-hex-3-enyl] 2-phenylacetate
SMILESCC/C=C\CCOC(=O)Cc1ccccc1
InChIInChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-
InChIKeyFJKFIIYSBXHBCT-ARJAWSKDSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hex-3-enyl 3-phenylpropanoate;3-phenylpropanoate
CID 20981452
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
bis(hex-3-enyl) propanedioate
CID 54313444
2-acetamidoethyl 2-phenylacetate
CID 139889118
octa-2,4-dienyl 2-phenylacetate
CID 175317654
3-methylbutyl 2-phenylacetate
CID 7600
octyl 2-phenylacetate;oxophosphanium
CID 160645862
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
4-O-(2-fluorophenyl) 1-O-[(E)-hex-3-enyl] butanedioate
CID 91698114
tert-butylbenzene;[(E)-hex-3-enyl] methyl carbonate
CID 174922445

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 2-phenylacetate?
The IUPAC name of [(Z)-hex-3-enyl] 2-phenylacetate (CID 5367698) is [(Z)-hex-3-enyl] 2-phenylacetate.
What is the SMILES notation for [(Z)-hex-3-enyl] 2-phenylacetate?
The canonical SMILES for [(Z)-hex-3-enyl] 2-phenylacetate is CC/C=C\CCOC(=O)Cc1ccccc1.
What is the InChIKey of [(Z)-hex-3-enyl] 2-phenylacetate?
The InChIKey is FJKFIIYSBXHBCT-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h3-7,9-10H,2,8,11-12H2,1H3/b4-3-.
What are the key properties of [(Z)-hex-3-enyl] 2-phenylacetate?
[(Z)-hex-3-enyl] 2-phenylacetate has a molecular weight of 218.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 2-phenylacetate is sourced from PubChem (CID 5367698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).