2-(4-ethylphenoxy)-2-methyloctanoic acid

C17H26O3 — CID 175308867

IUPAC2-(4-ethylphenoxy)-2-methyloctanoic acid
SMILESCCCCCCC(C)(Oc1ccc(CC)cc1)C(=O)O
InChIInChI=1S/C17H26O3/c1-4-6-7-8-13-17(3,16(18)19)20-15-11-9-14(5-2)10-12-15/h9-12H,4-8,13H2,1-3H3,(H,18,19)
InChIKeyLRPJYZWBOASLIA-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.44
Rot. Bonds9

About 2-(4-ethylphenoxy)-2-methyloctanoic acid

2-(4-ethylphenoxy)-2-methyloctanoic acid (PubChem CID 175308867) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-2-methyloctanoic acid.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-2-methyloctanoic acid
PubChem CID175308867
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-(4-ethylphenoxy)-2-methyloctanoic acid
SMILESCCCCCCC(C)(Oc1ccc(CC)cc1)C(=O)O
InChIInChI=1S/C17H26O3/c1-4-6-7-8-13-17(3,16(18)19)20-15-11-9-14(5-2)10-12-15/h9-12H,4-8,13H2,1-3H3,(H,18,19)
InChIKeyLRPJYZWBOASLIA-UHFFFAOYSA-N
XLogP4.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[4-(methylaminomethyl)phenoxy]pentanoic acid
CID 69141990
3-(4-ethylphenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10714560
(2-methyl-2-octyldodecyl) 4-ethylbenzoate
CID 138503945
2-dodecoxy-2-methyltetradecanoic acid
CID 88959462
2-ethoxy-2-methylnonanoic acid
CID 78969453
(4-ethylphenyl) 4-hexoxybenzoate
CID 23011413
5-(4-ethylphenoxy)-2,2-dimethylpentanoic acid
CID 22891666
2-pentyl-2-phenoxyheptanoic acid
CID 150989456
2-(3,4-dimethylphenoxy)-2-methylpentanoic acid
CID 114992362
1,4-diethylbenzene;heptane
CID 175370860
2-[4-(2,3-dihydro-1H-inden-2-yloxy)phenoxy]-2-methylpentanoic acid
CID 70554359
[4-(4-ethylphenyl)phenyl] 4-hexoxybenzoate
CID 3769000

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-2-methyloctanoic acid?
The IUPAC name of 2-(4-ethylphenoxy)-2-methyloctanoic acid (CID 175308867) is 2-(4-ethylphenoxy)-2-methyloctanoic acid.
What is the SMILES notation for 2-(4-ethylphenoxy)-2-methyloctanoic acid?
The canonical SMILES for 2-(4-ethylphenoxy)-2-methyloctanoic acid is CCCCCCC(C)(Oc1ccc(CC)cc1)C(=O)O.
What is the InChIKey of 2-(4-ethylphenoxy)-2-methyloctanoic acid?
The InChIKey is LRPJYZWBOASLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-4-6-7-8-13-17(3,16(18)19)20-15-11-9-14(5-2)10-12-15/h9-12H,4-8,13H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-ethylphenoxy)-2-methyloctanoic acid?
2-(4-ethylphenoxy)-2-methyloctanoic acid has a molecular weight of 278.39 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-2-methyloctanoic acid is sourced from PubChem (CID 175308867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).