2-(2-methoxyphenoxy)decanoic acid

C17H26O4 — CID 21317194

IUPAC2-(2-methoxyphenoxy)decanoic acid
SMILESCCCCCCCCC(Oc1ccccc1OC)C(=O)O
InChIInChI=1S/C17H26O4/c1-3-4-5-6-7-8-13-16(17(18)19)21-15-12-10-9-11-14(15)20-2/h9-12,16H,3-8,13H2,1-2H3,(H,18,19)
InChIKeyCGNMBRWBFXYFCQ-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.28
Rot. Bonds11

About 2-(2-methoxyphenoxy)decanoic acid

2-(2-methoxyphenoxy)decanoic acid (PubChem CID 21317194) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)decanoic acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)decanoic acid
PubChem CID21317194
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-(2-methoxyphenoxy)decanoic acid
SMILESCCCCCCCCC(Oc1ccccc1OC)C(=O)O
InChIInChI=1S/C17H26O4/c1-3-4-5-6-7-8-13-16(17(18)19)21-15-12-10-9-11-14(15)20-2/h9-12,16H,3-8,13H2,1-2H3,(H,18,19)
InChIKeyCGNMBRWBFXYFCQ-UHFFFAOYSA-N
XLogP4.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.28
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

2-(2-propoxyphenoxy)hexadecanoic acid
CID 175401560
(2R)-2-(2,3-dimethoxyphenoxy)hexanoic acid
CID 124564878
2-(2-cyanophenoxy)tetradecanoic acid
CID 14453176
2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029
2,9-bis(2-methoxyphenoxy)decanedioyl dichloride
CID 102377700
2-(2-propoxyphenoxy)hexanoic acid
CID 113373450
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
(2R)-2-phenoxyhexanoic acid
CID 71401043
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
ethyl 2-phenoxydecanoate
CID 101000092
potassium 2-phenoxyundecanoate
CID 70350230

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)decanoic acid?
The IUPAC name of 2-(2-methoxyphenoxy)decanoic acid (CID 21317194) is 2-(2-methoxyphenoxy)decanoic acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)decanoic acid?
The canonical SMILES for 2-(2-methoxyphenoxy)decanoic acid is CCCCCCCCC(Oc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenoxy)decanoic acid?
The InChIKey is CGNMBRWBFXYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-3-4-5-6-7-8-13-16(17(18)19)21-15-12-10-9-11-14(15)20-2/h9-12,16H,3-8,13H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxyphenoxy)decanoic acid?
2-(2-methoxyphenoxy)decanoic acid has a molecular weight of 294.39 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)decanoic acid is sourced from PubChem (CID 21317194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).