11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid

C23H38O4 — CID 68915235

IUPAC11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid
SMILESCCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H38O4/c1-2-3-4-11-14-20-16-17-21(24)19-22(20)27-18-13-10-8-6-5-7-9-12-15-23(25)26/h16-17,19,24H,2-15,18H2,1H3,(H,25,26)
InChIKeyRJMKWNXFLMTWCW-UHFFFAOYSA-N
MW378.55 g/mol
LogP6.49
Rot. Bonds17

About 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid

11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid (PubChem CID 68915235) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol. Its IUPAC name is 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid.

Molecular Properties

Compound Name11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid
PubChem CID68915235
Molecular FormulaC23H38O4
Molecular Weight378.55 g/mol
Exact Mass378.28
IUPAC Name11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid
SMILESCCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)O
InChIInChI=1S/C23H38O4/c1-2-3-4-11-14-20-16-17-21(24)19-22(20)27-18-13-10-8-6-5-7-9-12-15-23(25)26/h16-17,19,24H,2-15,18H2,1H3,(H,25,26)
InChIKeyRJMKWNXFLMTWCW-UHFFFAOYSA-N
XLogP6.49
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-(2-hexyl-5-hydroxyphenoxy)undecanoic 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

5-[3-(4-carboxybutyl)-6,7,10,11-tetrahexoxytriphenylen-2-yl]pentanoic acid
CID 101357364
10-[2-(9-carboxynonyl)-3-hexoxyphenyl]decanoic acid
CID 151006342
8-[3-(7-carboxyheptoxy)-6,7,10,11-tetrahexoxytriphenylen-2-yl]oxyoctanoic acid
CID 101162406
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248
2-hexadecoxy-4-hydroxybenzoic acid
CID 102239307
4-(3,4-dihexadecoxyphenyl)butanoic acid
CID 70560889
8-[3-hexyl-6-[7-(hydroxymethoxy)heptyl]-2-octylphenyl]octanoic acid
CID 20726028
3-propoxy-4-propylphenol
CID 22123839
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
benzene-1,3-diol;bis(heptadecanoic acid)
CID 159990234
benzene-1,3-diol;decanoic acid
CID 175490572
4-hydroxy-2-pentadecylbenzoic acid
CID 69021357

Frequently Asked Questions

What is the IUPAC name of 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid?
The IUPAC name of 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid (CID 68915235) is 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid.
What is the SMILES notation for 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid?
The canonical SMILES for 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid is CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid?
The InChIKey is RJMKWNXFLMTWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O4/c1-2-3-4-11-14-20-16-17-21(24)19-22(20)27-18-13-10-8-6-5-7-9-12-15-23(25)26/h16-17,19,24H,2-15,18H2,1H3,(H,25,26).
What are the key properties of 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid?
11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid has a molecular weight of 378.55 g/mol, XLogP of 6.49, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid is sourced from PubChem (CID 68915235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).