11-(2-methoxyphenoxy)undecanoic acid

C18H28O4 — CID 54541327

IUPAC11-(2-methoxyphenoxy)undecanoic acid
SMILESCOc1ccccc1OCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H28O4/c1-21-16-12-9-10-13-17(16)22-15-11-7-5-3-2-4-6-8-14-18(19)20/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,19,20)
InChIKeyZDJVHJVZNOMMRM-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.67
Rot. Bonds13

About 11-(2-methoxyphenoxy)undecanoic acid

11-(2-methoxyphenoxy)undecanoic acid (PubChem CID 54541327) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 11-(2-methoxyphenoxy)undecanoic acid.

Molecular Properties

Compound Name11-(2-methoxyphenoxy)undecanoic acid
PubChem CID54541327
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name11-(2-methoxyphenoxy)undecanoic acid
SMILESCOc1ccccc1OCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H28O4/c1-21-16-12-9-10-13-17(16)22-15-11-7-5-3-2-4-6-8-14-18(19)20/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,19,20)
InChIKeyZDJVHJVZNOMMRM-UHFFFAOYSA-N
XLogP4.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
7-(2-methylphenoxy)heptanoic acid
CID 92930643
6-[2-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
CID 150742680
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
7-(2-bromophenoxy)heptanoic acid
CID 39423766
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
4-(2-methoxyphenoxy)butanoyl chloride
CID 82041131
9-phenoxynonanoic acid
CID 15887638
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
5-(2-methoxyphenyl)pentanoic acid
CID 25050817

Frequently Asked Questions

What is the IUPAC name of 11-(2-methoxyphenoxy)undecanoic acid?
The IUPAC name of 11-(2-methoxyphenoxy)undecanoic acid (CID 54541327) is 11-(2-methoxyphenoxy)undecanoic acid.
What is the SMILES notation for 11-(2-methoxyphenoxy)undecanoic acid?
The canonical SMILES for 11-(2-methoxyphenoxy)undecanoic acid is COc1ccccc1OCCCCCCCCCCC(=O)O.
What is the InChIKey of 11-(2-methoxyphenoxy)undecanoic acid?
The InChIKey is ZDJVHJVZNOMMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-21-16-12-9-10-13-17(16)22-15-11-7-5-3-2-4-6-8-14-18(19)20/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,19,20).
What are the key properties of 11-(2-methoxyphenoxy)undecanoic acid?
11-(2-methoxyphenoxy)undecanoic acid has a molecular weight of 308.42 g/mol, XLogP of 4.67, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methoxyphenoxy)undecanoic acid is sourced from PubChem (CID 54541327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).