2-(2-phenoxyethoxy)tetradecanoic acid

C22H36O4 — CID 122611876

IUPAC2-(2-phenoxyethoxy)tetradecanoic acid
SMILESCCCCCCCCCCCCC(OCCOc1ccccc1)C(=O)O
InChIInChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-14-17-21(22(23)24)26-19-18-25-20-15-12-11-13-16-20/h11-13,15-16,21H,2-10,14,17-19H2,1H3,(H,23,24)
InChIKeyHMGXANIXIGVYDP-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.85
Rot. Bonds17

About 2-(2-phenoxyethoxy)tetradecanoic acid

2-(2-phenoxyethoxy)tetradecanoic acid (PubChem CID 122611876) has the molecular formula C22H36O4 and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)tetradecanoic acid.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)tetradecanoic acid
PubChem CID122611876
Molecular FormulaC22H36O4
Molecular Weight364.53 g/mol
Exact Mass364.26
IUPAC Name2-(2-phenoxyethoxy)tetradecanoic acid
SMILESCCCCCCCCCCCCC(OCCOc1ccccc1)C(=O)O
InChIInChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-14-17-21(22(23)24)26-19-18-25-20-15-12-11-13-16-20/h11-13,15-16,21H,2-10,14,17-19H2,1H3,(H,23,24)
InChIKeyHMGXANIXIGVYDP-UHFFFAOYSA-N
XLogP5.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.85
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-phenoxyethoxy)pentadecanoic acid
CID 122612494
2-phenoxyethyl 2-ethoxynonanoate
CID 174802894
2-dodecoxy-3-phenoxypropanoic acid
CID 54526950
2-decoxydecanoic acid
CID 152638766
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
potassium 2-phenoxyundecanoate
CID 70350230
sodium 2-phenoxyoctadecanoate
CID 141463853
pentoxybenzene;undecane
CID 174778179
(2R)-2-phenoxyhexanoic acid
CID 71401043
2-(2-propoxyphenoxy)hexadecanoic acid
CID 175401560
2-(2-phenoxyethyl)hexanoic acid
CID 154500059
2-phenoxyethyl undecanoate
CID 54508523

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)tetradecanoic acid?
The IUPAC name of 2-(2-phenoxyethoxy)tetradecanoic acid (CID 122611876) is 2-(2-phenoxyethoxy)tetradecanoic acid.
What is the SMILES notation for 2-(2-phenoxyethoxy)tetradecanoic acid?
The canonical SMILES for 2-(2-phenoxyethoxy)tetradecanoic acid is CCCCCCCCCCCCC(OCCOc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenoxyethoxy)tetradecanoic acid?
The InChIKey is HMGXANIXIGVYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-14-17-21(22(23)24)26-19-18-25-20-15-12-11-13-16-20/h11-13,15-16,21H,2-10,14,17-19H2,1H3,(H,23,24).
What are the key properties of 2-(2-phenoxyethoxy)tetradecanoic acid?
2-(2-phenoxyethoxy)tetradecanoic acid has a molecular weight of 364.53 g/mol, XLogP of 5.85, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)tetradecanoic acid is sourced from PubChem (CID 122611876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).