2-(2-phenoxyethoxy)pentadecanoic acid

C23H38O4 — CID 122612494

IUPAC2-(2-phenoxyethoxy)pentadecanoic acid
SMILESCCCCCCCCCCCCCC(OCCOc1ccccc1)C(=O)O
InChIInChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(23(24)25)27-20-19-26-21-16-13-12-14-17-21/h12-14,16-17,22H,2-11,15,18-20H2,1H3,(H,24,25)
InChIKeyHMULAFKGFRDCEM-UHFFFAOYSA-N
MW378.55 g/mol
LogP6.24
Rot. Bonds18

About 2-(2-phenoxyethoxy)pentadecanoic acid

2-(2-phenoxyethoxy)pentadecanoic acid (PubChem CID 122612494) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)pentadecanoic acid.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)pentadecanoic acid
PubChem CID122612494
Molecular FormulaC23H38O4
Molecular Weight378.55 g/mol
Exact Mass378.28
IUPAC Name2-(2-phenoxyethoxy)pentadecanoic acid
SMILESCCCCCCCCCCCCCC(OCCOc1ccccc1)C(=O)O
InChIInChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(23(24)25)27-20-19-26-21-16-13-12-14-17-21/h12-14,16-17,22H,2-11,15,18-20H2,1H3,(H,24,25)
InChIKeyHMULAFKGFRDCEM-UHFFFAOYSA-N
XLogP6.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 56.24
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)tetradecanoic acid
CID 122611876
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)pentadecanoic acid?
The IUPAC name of 2-(2-phenoxyethoxy)pentadecanoic acid (CID 122612494) is 2-(2-phenoxyethoxy)pentadecanoic acid.
What is the SMILES notation for 2-(2-phenoxyethoxy)pentadecanoic acid?
The canonical SMILES for 2-(2-phenoxyethoxy)pentadecanoic acid is CCCCCCCCCCCCCC(OCCOc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenoxyethoxy)pentadecanoic acid?
The InChIKey is HMULAFKGFRDCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(23(24)25)27-20-19-26-21-16-13-12-14-17-21/h12-14,16-17,22H,2-11,15,18-20H2,1H3,(H,24,25).
What are the key properties of 2-(2-phenoxyethoxy)pentadecanoic acid?
2-(2-phenoxyethoxy)pentadecanoic acid has a molecular weight of 378.55 g/mol, XLogP of 6.24, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)pentadecanoic acid is sourced from PubChem (CID 122612494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).