(6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid

C19H24O5 — CID 88681398

IUPAC(6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid
SMILESO=C(O)CCCC(O)/C=C\C=C\C=C\C(O)COc1ccccc1
InChIInChI=1S/C19H24O5/c20-16(11-8-14-19(22)23)9-4-1-2-5-10-17(21)15-24-18-12-6-3-7-13-18/h1-7,9-10,12-13,16-17,20-21H,8,11,14-15H2,(H,22,23)/b2-1+,9-4-,10-5+
InChIKeyDOVDCYFKZXTYCB-PPAMGLIUSA-N
MW332.40 g/mol
LogP2.71
Rot. Bonds11

About (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid

(6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid (PubChem CID 88681398) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid.

Molecular Properties

Compound Name(6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid
PubChem CID88681398
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name(6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid
SMILESO=C(O)CCCC(O)/C=C\C=C\C=C\C(O)COc1ccccc1
InChIInChI=1S/C19H24O5/c20-16(11-8-14-19(22)23)9-4-1-2-5-10-17(21)15-24-18-12-6-3-7-13-18/h1-7,9-10,12-13,16-17,20-21H,8,11,14-15H2,(H,22,23)/b2-1+,9-4-,10-5+
InChIKeyDOVDCYFKZXTYCB-PPAMGLIUSA-N
XLogP2.71
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid with MolForge

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Related Compounds

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2-[(2S,3R)-13-(4-fluorophenoxy)-2,3,12-trihydroxytrideca-4,6,8,10-tetraenoxy]acetic acid
CID 90834831
(2S)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]pentanedioic acid
CID 40548603
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(2S)-1-phenoxybut-3-en-2-ol
CID 137281228
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CID 15887638
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CID 67592895
(Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 12767332
(11E,13R)-13-hydroxy-14-phenoxytetradeca-1,11-dien-3-one
CID 167222940
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910
(Z)-7-[(4S,5R)-4-hydroxy-5-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopenten-1-yl]hept-5-enoic acid
CID 10809298

Frequently Asked Questions

What is the IUPAC name of (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid?
The IUPAC name of (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid (CID 88681398) is (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid.
What is the SMILES notation for (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid?
The canonical SMILES for (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid is O=C(O)CCCC(O)/C=C\C=C\C=C\C(O)COc1ccccc1.
What is the InChIKey of (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid?
The InChIKey is DOVDCYFKZXTYCB-PPAMGLIUSA-N. The full InChI is InChI=1S/C19H24O5/c20-16(11-8-14-19(22)23)9-4-1-2-5-10-17(21)15-24-18-12-6-3-7-13-18/h1-7,9-10,12-13,16-17,20-21H,8,11,14-15H2,(H,22,23)/b2-1+,9-4-,10-5+.
What are the key properties of (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid?
(6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.71, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid is sourced from PubChem (CID 88681398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).