5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid

C24H36O4 — CID 54544645

IUPAC5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid
SMILESCCCCCCCCC(O)C=CC=Cc1ccccc1C(O)CCCC(=O)O
InChIInChI=1S/C24H36O4/c1-2-3-4-5-6-7-15-21(25)16-10-8-13-20-14-9-11-17-22(20)23(26)18-12-19-24(27)28/h8-11,13-14,16-17,21,23,25-26H,2-7,12,15,18-19H2,1H3,(H,27,28)
InChIKeyZFRDZFMRSUDVFP-UHFFFAOYSA-N
MW388.55 g/mol
LogP5.66
Rot. Bonds15

About 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid

5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid (PubChem CID 54544645) has the molecular formula C24H36O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid
PubChem CID54544645
Molecular FormulaC24H36O4
Molecular Weight388.55 g/mol
Exact Mass388.26
IUPAC Name5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid
SMILESCCCCCCCCC(O)C=CC=Cc1ccccc1C(O)CCCC(=O)O
InChIInChI=1S/C24H36O4/c1-2-3-4-5-6-7-15-21(25)16-10-8-13-20-14-9-11-17-22(20)23(26)18-12-19-24(27)28/h8-11,13-14,16-17,21,23,25-26H,2-7,12,15,18-19H2,1H3,(H,27,28)
InChIKeyZFRDZFMRSUDVFP-UHFFFAOYSA-N
XLogP5.66
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-5-[2-(5-methoxytrideca-1,3-dienyl)phenyl]pentanoic acid
CID 54379089
5-hydroxy-5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]-1-pyrrolidin-1-ylpentan-1-one
CID 15087630
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
2-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenoxy]ethyl acetate
CID 19799760
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
5-[2-[(1E,3E)-5-acetyloxyundeca-1,3-dienyl]phenyl]pentanoic acid
CID 15067617

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid?
The IUPAC name of 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid (CID 54544645) is 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid.
What is the SMILES notation for 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid?
The canonical SMILES for 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid is CCCCCCCCC(O)C=CC=Cc1ccccc1C(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid?
The InChIKey is ZFRDZFMRSUDVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O4/c1-2-3-4-5-6-7-15-21(25)16-10-8-13-20-14-9-11-17-22(20)23(26)18-12-19-24(27)28/h8-11,13-14,16-17,21,23,25-26H,2-7,12,15,18-19H2,1H3,(H,27,28).
What are the key properties of 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid?
5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid has a molecular weight of 388.55 g/mol, XLogP of 5.66, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid is sourced from PubChem (CID 54544645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).