1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate

C16H22O3 — CID 11832226

IUPAC1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate
SMILESC/C=C/C(CCc1ccccc1)OC(C)OC(C)=O
InChIInChI=1S/C16H22O3/c1-4-8-16(19-14(3)18-13(2)17)12-11-15-9-6-5-7-10-15/h4-10,14,16H,11-12H2,1-3H3/b8-4+
InChIKeyQYIZZLFWSOSDOM-XBXARRHUSA-N
MW262.35 g/mol
LogP3.49
Rot. Bonds7

About 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate

1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate (PubChem CID 11832226) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate.

Molecular Properties

Compound Name1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate
PubChem CID11832226
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate
SMILESC/C=C/C(CCc1ccccc1)OC(C)OC(C)=O
InChIInChI=1S/C16H22O3/c1-4-8-16(19-14(3)18-13(2)17)12-11-15-9-6-5-7-10-15/h4-10,14,16H,11-12H2,1-3H3/b8-4+
InChIKeyQYIZZLFWSOSDOM-XBXARRHUSA-N
XLogP3.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methoxyhex-4-enylbenzene
CID 71364959
[(Z)-1-phenylhex-4-en-3-yl]oxymethylbenzene
CID 23649924
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
1-[(E,3R)-1-phenylhept-5-en-3-yl]oxybutyl acetate
CID 177424890
[(1S)-1-phenylmethoxyethyl] acetate
CID 10965388
5-phenylpent-1-yn-3-yl acetate
CID 10035749
(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881
[(3S)-1-(2-hydroxy-4-oxocyclopentyl)-5-phenylpent-1-en-3-yl] acetate
CID 69478159
(2-acetyloxy-4-phenylbutyl) acetate
CID 15049204
(4-oxo-1-phenylhexan-3-yl) acetate
CID 71337403
5-phenylpent-1-en-3-yl 2-bromopropanoate
CID 139257461
acetyl 2-methyl-4-phenylbutanoate
CID 174376937

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate?
The IUPAC name of 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate (CID 11832226) is 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate.
What is the SMILES notation for 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate?
The canonical SMILES for 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate is C/C=C/C(CCc1ccccc1)OC(C)OC(C)=O.
What is the InChIKey of 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate?
The InChIKey is QYIZZLFWSOSDOM-XBXARRHUSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-8-16(19-14(3)18-13(2)17)12-11-15-9-6-5-7-10-15/h4-10,14,16H,11-12H2,1-3H3/b8-4+.
What are the key properties of 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate?
1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate has a molecular weight of 262.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate is sourced from PubChem (CID 11832226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).