2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid

C24H38O4 — CID 75048986

IUPAC2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid
SMILESCC(O)CCCCCCC=CCCCCCCCc1cccc(O)c1C(=O)O
InChIInChI=1S/C24H38O4/c1-20(25)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-21-18-15-19-22(26)23(21)24(27)28/h2-3,15,18-20,25-26H,4-14,16-17H2,1H3,(H,27,28)
InChIKeyIKOVEXGXUDELJW-UHFFFAOYSA-N
MW390.56 g/mol
LogP6.25
Rot. Bonds16

About 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid

2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid (PubChem CID 75048986) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid
PubChem CID75048986
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid
SMILESCC(O)CCCCCCC=CCCCCCCCc1cccc(O)c1C(=O)O
InChIInChI=1S/C24H38O4/c1-20(25)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-21-18-15-19-22(26)23(21)24(27)28/h2-3,15,18-20,25-26H,4-14,16-17H2,1H3,(H,27,28)
InChIKeyIKOVEXGXUDELJW-UHFFFAOYSA-N
XLogP6.25
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-6-tridec-8-enylbenzoic acid
CID 73188302
2-hydroxy-6-octylbenzoic acid
CID 14298684
2-dodecyl-6-hydroxybenzoic acid
CID 10244659
2-hydroxy-6-(15-hydroxypentadecyl)benzoic acid
CID 177472743
2-hydroxy-6-(5-hydroxypentyl)benzoic acid
CID 127037290
2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
CID 162921751
3-(11-methyldodecyl)phthalic acid
CID 69475876
ethyl 2-hydroxy-6-[(E)-pentadec-8-enyl]benzoate
CID 102317584
2-hydroxy-6-(12-oxoheptadecyl)benzoic acid
CID 146683504
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid;3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]phenol;5-pentadecylbenzene-1,3-diol
CID 167577274
(E,10R)-10-hydroxyundec-2-enoic acid
CID 139031700
3-(3-hydroxybutyl)phthalic acid
CID 172943535

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid?
The IUPAC name of 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid (CID 75048986) is 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid is CC(O)CCCCCCC=CCCCCCCCc1cccc(O)c1C(=O)O.
What is the InChIKey of 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid?
The InChIKey is IKOVEXGXUDELJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4/c1-20(25)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-21-18-15-19-22(26)23(21)24(27)28/h2-3,15,18-20,25-26H,4-14,16-17H2,1H3,(H,27,28).
What are the key properties of 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid?
2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid has a molecular weight of 390.56 g/mol, XLogP of 6.25, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(16-hydroxyheptadec-8-enyl)benzoic acid is sourced from PubChem (CID 75048986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).