2-(2-ethoxyphenyl)octanoic acid

C16H24O3 — CID 174447209

IUPAC2-(2-ethoxyphenyl)octanoic acid
SMILESCCCCCCC(C(=O)O)c1ccccc1OCC
InChIInChI=1S/C16H24O3/c1-3-5-6-7-11-14(16(17)18)13-10-8-9-12-15(13)19-4-2/h8-10,12,14H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyMQXUMGKHQGDCHE-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.22
Rot. Bonds9

About 2-(2-ethoxyphenyl)octanoic acid

2-(2-ethoxyphenyl)octanoic acid (PubChem CID 174447209) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)octanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)octanoic acid
PubChem CID174447209
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-(2-ethoxyphenyl)octanoic acid
SMILESCCCCCCC(C(=O)O)c1ccccc1OCC
InChIInChI=1S/C16H24O3/c1-3-5-6-7-11-14(16(17)18)13-10-8-9-12-15(13)19-4-2/h8-10,12,14H,3-7,11H2,1-2H3,(H,17,18)
InChIKeyMQXUMGKHQGDCHE-UHFFFAOYSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.22
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-(2-ethoxyphenyl)butanedioic acid
CID 112508431
2-naphthalen-1-yldodecanoic acid
CID 23333439
2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-(2-pyridin-1-ium-1-ylphenyl)nonadecanoic acid
CID 69480674
2-(2-pyridin-1-ium-1-ylphenyl)tridecanoic acid
CID 69479552
2-[2-(diaminomethylideneamino)phenyl]henicosanoic acid
CID 69479694
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
2-(2-amino-3-methylphenyl)decanoic acid
CID 106987425
2-(2-amino-3-bromophenyl)decanoic acid
CID 106987429
2-(1-benzofuran-3-yl)octanoic acid
CID 66764434
2-(2-amino-3-fluorophenyl)decanoic acid
CID 106820197
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)octanoic acid?
The IUPAC name of 2-(2-ethoxyphenyl)octanoic acid (CID 174447209) is 2-(2-ethoxyphenyl)octanoic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)octanoic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)octanoic acid is CCCCCCC(C(=O)O)c1ccccc1OCC.
What is the InChIKey of 2-(2-ethoxyphenyl)octanoic acid?
The InChIKey is MQXUMGKHQGDCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-6-7-11-14(16(17)18)13-10-8-9-12-15(13)19-4-2/h8-10,12,14H,3-7,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-ethoxyphenyl)octanoic acid?
2-(2-ethoxyphenyl)octanoic acid has a molecular weight of 264.37 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)octanoic acid is sourced from PubChem (CID 174447209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).