14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid

C23H34O4 — CID 123664442

IUPAC14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid
SMILESCCC=CCC=CCC(O)C=CC=CC=CC(CC=CCCC(=O)O)OC
InChIInChI=1S/C23H34O4/c1-3-4-5-6-7-11-16-21(24)17-12-8-9-13-18-22(27-2)19-14-10-15-20-23(25)26/h4-5,7-14,17-18,21-22,24H,3,6,15-16,19-20H2,1-2H3,(H,25,26)
InChIKeyYFXSAFAIFOXTAK-UHFFFAOYSA-N
MW374.52 g/mol
LogP5.14
Rot. Bonds15

About 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid

14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid (PubChem CID 123664442) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid.

Molecular Properties

Compound Name14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid
PubChem CID123664442
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid
SMILESCCC=CCC=CCC(O)C=CC=CC=CC(CC=CCCC(=O)O)OC
InChIInChI=1S/C23H34O4/c1-3-4-5-6-7-11-16-21(24)17-12-8-9-13-18-22(27-2)19-14-10-15-20-23(25)26/h4-5,7-14,17-18,21-22,24H,3,6,15-16,19-20H2,1-2H3,(H,25,26)
InChIKeyYFXSAFAIFOXTAK-UHFFFAOYSA-N
XLogP5.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123964857
(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385
(4Z,7S,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 173048794
(4Z,7S,8E,10Z,12Z,15Z,18Z)-7-hydroxyhenicosa-4,8,10,12,15,18-hexaenoic acid
CID 89037704
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921999
(4E,7E,10E,13E,17E,19E)-16-hydroxydocosa-4,7,10,13,17,19-hexaenoic acid
CID 171376368
(4Z,7Z,10Z,13R,14E,16Z,18E,20R)-13,20-dihydroxydocosa-4,7,10,14,16,18-hexaenoic acid
CID 87059786
(4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 131983349
7,17-dihydroxy-16-oxodocosa-4,8,10,12,14,19-hexaenoic acid
CID 162821613
(4Z,7Z,10R,11S,13Z,16Z,19Z)-10,11-dihydroxydocosa-4,7,13,16,19-pentaenoic acid
CID 129364490
(4Z,7S,8R,9Z,11Z,13E,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid
CID 35021420

Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid?
The IUPAC name of 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid (CID 123664442) is 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid.
What is the SMILES notation for 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid?
The canonical SMILES for 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid is CCC=CCC=CCC(O)C=CC=CC=CC(CC=CCCC(=O)O)OC.
What is the InChIKey of 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid?
The InChIKey is YFXSAFAIFOXTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O4/c1-3-4-5-6-7-11-16-21(24)17-12-8-9-13-18-22(27-2)19-14-10-15-20-23(25)26/h4-5,7-14,17-18,21-22,24H,3,6,15-16,19-20H2,1-2H3,(H,25,26).
What are the key properties of 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid?
14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid has a molecular weight of 374.52 g/mol, XLogP of 5.14, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid is sourced from PubChem (CID 123664442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).