7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid

C23H33NO3 — CID 6443599

IUPAC7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid
SMILESCCCCCC(O)/C=C/c1[nH]c2ccccc2c1CCCCCCC(=O)O
InChIInChI=1S/C23H33NO3/c1-2-3-6-11-18(25)16-17-22-20(12-7-4-5-8-15-23(26)27)19-13-9-10-14-21(19)24-22/h9-10,13-14,16-18,24-25H,2-8,11-12,15H2,1H3,(H,26,27)/b17-16+
InChIKeyNNUMLENANGVSNZ-WUKNDPDISA-N
MW371.52 g/mol
LogP5.70
Rot. Bonds13

About 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid

7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid (PubChem CID 6443599) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid.

Molecular Properties

Compound Name7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid
PubChem CID6443599
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid
SMILESCCCCCC(O)/C=C/c1[nH]c2ccccc2c1CCCCCCC(=O)O
InChIInChI=1S/C23H33NO3/c1-2-3-6-11-18(25)16-17-22-20(12-7-4-5-8-15-23(26)27)19-13-9-10-14-21(19)24-22/h9-10,13-14,16-18,24-25H,2-8,11-12,15H2,1H3,(H,26,27)/b17-16+
InChIKeyNNUMLENANGVSNZ-WUKNDPDISA-N
XLogP5.70
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid with MolForge

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Related Compounds

(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
7-[5-(3-hydroxyoct-1-enyl)thiophen-2-yl]heptanoic acid
CID 54320936
(E,8S)-8-hydroxy-10-(5-oxo-2-pentylcyclopenten-1-yl)dec-9-enoic acid
CID 171116352
(E,6S)-6-hydroxy-8-(5-oxo-2-pentylcyclopenten-1-yl)oct-7-enoic acid
CID 171116348
5-hydroxy-5-[2-(5-hydroxytrideca-1,3-dienyl)phenyl]pentanoic acid
CID 54544645
7-[5-[(E)-3-hydroxyoct-1-enyl]-2-methyl-1,3-thiazol-4-yl]heptanoic acid
CID 21406428
(6R,7S,10R)-6,7,10-trihydroxyoctadec-8-enoic acid
CID 162875566
2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid
CID 141150284
6-[4-(3-hydroxyoct-1-enyl)phenyl]hex-5-enoic acid
CID 74011646

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid?
The IUPAC name of 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid (CID 6443599) is 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid.
What is the SMILES notation for 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid?
The canonical SMILES for 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid is CCCCCC(O)/C=C/c1[nH]c2ccccc2c1CCCCCCC(=O)O.
What is the InChIKey of 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid?
The InChIKey is NNUMLENANGVSNZ-WUKNDPDISA-N. The full InChI is InChI=1S/C23H33NO3/c1-2-3-6-11-18(25)16-17-22-20(12-7-4-5-8-15-23(26)27)19-13-9-10-14-21(19)24-22/h9-10,13-14,16-18,24-25H,2-8,11-12,15H2,1H3,(H,26,27)/b17-16+.
What are the key properties of 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid?
7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid has a molecular weight of 371.52 g/mol, XLogP of 5.70, 13 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-3-hydroxyoct-1-enyl]-1H-indol-3-yl]heptanoic acid is sourced from PubChem (CID 6443599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).