2-ethylbutanoic acid;2-phenoxyacetic acid

C14H20O5 — CID 69343570

IUPAC2-ethylbutanoic acid;2-phenoxyacetic acid
SMILESCCC(CC)C(=O)O.O=C(O)COc1ccccc1
InChIInChI=1S/C8H8O3.C6H12O2/c9-8(10)6-11-7-4-2-1-3-5-7;1-3-5(4-2)6(7)8/h1-5H,6H2,(H,9,10);5H,3-4H2,1-2H3,(H,7,8)
InChIKeyPAVIFJAVOLVTPU-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.66
Rot. Bonds6

About 2-ethylbutanoic acid;2-phenoxyacetic acid

2-ethylbutanoic acid;2-phenoxyacetic acid (PubChem CID 69343570) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-ethylbutanoic acid;2-phenoxyacetic acid.

Molecular Properties

Compound Name2-ethylbutanoic acid;2-phenoxyacetic acid
PubChem CID69343570
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-ethylbutanoic acid;2-phenoxyacetic acid
SMILESCCC(CC)C(=O)O.O=C(O)COc1ccccc1
InChIInChI=1S/C8H8O3.C6H12O2/c9-8(10)6-11-7-4-2-1-3-5-7;1-3-5(4-2)6(7)8/h1-5H,6H2,(H,9,10);5H,3-4H2,1-2H3,(H,7,8)
InChIKeyPAVIFJAVOLVTPU-UHFFFAOYSA-N
XLogP2.66
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethylbutanoic acid;2-phenoxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-phenoxypentanoic acid
CID 62936111
chloromethane;2-phenoxyacetic acid
CID 157255542
2-phenoxyacetic acid;titanium
CID 174896747
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-[4-(1-phenylpropyl)phenoxy]acetic acid
CID 101304213
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
naphthalene;2-phenoxyacetic acid
CID 175275275
2-phenoxyacetic acid;phenyl acetate
CID 160680696
2-phenoxyacetic acid;piperazine
CID 54610102
2-(2-phenoxyethyl)hexanoic acid
CID 154500059
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
2-[4-(2-ethylbutyl)phenoxy]acetic acid
CID 70838941

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutanoic acid;2-phenoxyacetic acid?
The IUPAC name of 2-ethylbutanoic acid;2-phenoxyacetic acid (CID 69343570) is 2-ethylbutanoic acid;2-phenoxyacetic acid.
What is the SMILES notation for 2-ethylbutanoic acid;2-phenoxyacetic acid?
The canonical SMILES for 2-ethylbutanoic acid;2-phenoxyacetic acid is CCC(CC)C(=O)O.O=C(O)COc1ccccc1.
What is the InChIKey of 2-ethylbutanoic acid;2-phenoxyacetic acid?
The InChIKey is PAVIFJAVOLVTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C6H12O2/c9-8(10)6-11-7-4-2-1-3-5-7;1-3-5(4-2)6(7)8/h1-5H,6H2,(H,9,10);5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-ethylbutanoic acid;2-phenoxyacetic acid?
2-ethylbutanoic acid;2-phenoxyacetic acid has a molecular weight of 268.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutanoic acid;2-phenoxyacetic acid is sourced from PubChem (CID 69343570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).