[(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate

C17H22O4 — CID 167362080

IUPAC[(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
SMILESC/C=C\C(=C/C)CCOC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C17H22O4/c1-4-6-13(5-2)9-10-21-17(19)12-14-7-8-15(18)16(11-14)20-3/h4-8,11,18H,9-10,12H2,1-3H3/b6-4-,13-5+
InChIKeyYZYLZEUGZSAAJB-GLRUQPRCSA-N
MW290.36 g/mol
LogP3.40
Rot. Bonds7

About [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate

[(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate (PubChem CID 167362080) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
PubChem CID167362080
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name[(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
SMILESC/C=C\C(=C/C)CCOC(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C17H22O4/c1-4-6-13(5-2)9-10-21-17(19)12-14-7-8-15(18)16(11-14)20-3/h4-8,11,18H,9-10,12H2,1-3H3/b6-4-,13-5+
InChIKeyYZYLZEUGZSAAJB-GLRUQPRCSA-N
XLogP3.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 121224875
2-phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 134231770
[(3S)-3,7-dimethyloct-6-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 134231777
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone
CID 42605359
2-[4-[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxy-3-methoxyphenyl]acetic acid
CID 54022503
2-(4-hydroxy-3-methoxyphenyl)ethyl octacosanoate
CID 101421508
4-bromobutyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 174513946
(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
2-(4-hydroxy-3-methoxyphenyl)ethyl 5-methylhexanoate
CID 140538864

Frequently Asked Questions

What is the IUPAC name of [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate?
The IUPAC name of [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate (CID 167362080) is [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate.
What is the SMILES notation for [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate?
The canonical SMILES for [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate is C/C=C\C(=C/C)CCOC(=O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate?
The InChIKey is YZYLZEUGZSAAJB-GLRUQPRCSA-N. The full InChI is InChI=1S/C17H22O4/c1-4-6-13(5-2)9-10-21-17(19)12-14-7-8-15(18)16(11-14)20-3/h4-8,11,18H,9-10,12H2,1-3H3/b6-4-,13-5+.
What are the key properties of [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate?
[(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate has a molecular weight of 290.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3Z)-3-ethylidenehex-4-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate is sourced from PubChem (CID 167362080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).