2-(4-hydroxyphenyl)ethenyl tetradecanoate

C22H34O3 — CID 6710065

IUPAC2-(4-hydroxyphenyl)ethenyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC=Cc1ccc(O)cc1
InChIInChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(24)25-19-18-20-14-16-21(23)17-15-20/h14-19,23H,2-13H2,1H3
InChIKeyJEWOTLBUXYGSGI-UHFFFAOYSA-N
MW346.51 g/mol
LogP6.61
Rot. Bonds14

About 2-(4-hydroxyphenyl)ethenyl tetradecanoate

2-(4-hydroxyphenyl)ethenyl tetradecanoate (PubChem CID 6710065) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethenyl tetradecanoate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethenyl tetradecanoate
PubChem CID6710065
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Name2-(4-hydroxyphenyl)ethenyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC=Cc1ccc(O)cc1
InChIInChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(24)25-19-18-20-14-16-21(23)17-15-20/h14-19,23H,2-13H2,1H3
InChIKeyJEWOTLBUXYGSGI-UHFFFAOYSA-N
XLogP6.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-phenylethenyl] hexadecanoate
CID 177448734
[(E)-3-(4-hydroxyphenyl)prop-2-enyl] hexacosanoate
CID 141473450
(4-formylphenyl) octanoate;4-hydroxybenzaldehyde
CID 161257704
4-(2-bromoethenyl)phenol;dodecanoic acid
CID 174566779
prop-1-enyl dodecanoate
CID 87388098
[(E)-prop-1-enyl] dodecanoate
CID 140543660
acetic acid;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;octanethioic S-acid
CID 175188327
[4-[2-(3-decanoyloxy-5-hydroxyphenyl)ethenyl]phenyl] decanoate
CID 68910734
(4-hydroxyanilino) octadecanoate
CID 174614786
docos-1-enyl tetradecanoate
CID 141143815
[(E)-hex-1-enyl] heptacosanoate
CID 102118777
octadec-1-enyl tetradecanoate
CID 71417711

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethenyl tetradecanoate?
The IUPAC name of 2-(4-hydroxyphenyl)ethenyl tetradecanoate (CID 6710065) is 2-(4-hydroxyphenyl)ethenyl tetradecanoate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethenyl tetradecanoate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethenyl tetradecanoate is CCCCCCCCCCCCCC(=O)OC=Cc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethenyl tetradecanoate?
The InChIKey is JEWOTLBUXYGSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(24)25-19-18-20-14-16-21(23)17-15-20/h14-19,23H,2-13H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)ethenyl tetradecanoate?
2-(4-hydroxyphenyl)ethenyl tetradecanoate has a molecular weight of 346.51 g/mol, XLogP of 6.61, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethenyl tetradecanoate is sourced from PubChem (CID 6710065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).