3-(4-ethylphenoxy)butanoic acid

C12H16O3 — CID 43535961

IUPAC3-(4-ethylphenoxy)butanoic acid
SMILESCCc1ccc(OC(C)CC(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-3-10-4-6-11(7-5-10)15-9(2)8-12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeyXZQZDWWRUNGARV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.49
Rot. Bonds5

About 3-(4-ethylphenoxy)butanoic acid

3-(4-ethylphenoxy)butanoic acid (PubChem CID 43535961) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)butanoic acid.

Molecular Properties

Compound Name3-(4-ethylphenoxy)butanoic acid
PubChem CID43535961
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(4-ethylphenoxy)butanoic acid
SMILESCCc1ccc(OC(C)CC(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-3-10-4-6-11(7-5-10)15-9(2)8-12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeyXZQZDWWRUNGARV-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylphenoxy)pentan-2-one
CID 64698154
(3S)-3-[4-(hydroxymethyl)phenoxy]butanoic acid
CID 103547969
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
(3R)-3-(4-butan-2-ylphenoxy)butanoic acid
CID 107663488
(3S)-3-[4-(4-methylphenoxy)phenoxy]butanoic acid
CID 103547877
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
2-(4-ethylphenoxy)pentan-3-one
CID 64866307
2-[4-[(2R)-pentan-2-yl]oxyphenyl]acetic acid
CID 124632287
3-(4-ethylphenoxy)pentane-2,4-dione
CID 86102382
2-(4-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
3-(diethylamino)-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 82352356
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)butanoic acid?
The IUPAC name of 3-(4-ethylphenoxy)butanoic acid (CID 43535961) is 3-(4-ethylphenoxy)butanoic acid.
What is the SMILES notation for 3-(4-ethylphenoxy)butanoic acid?
The canonical SMILES for 3-(4-ethylphenoxy)butanoic acid is CCc1ccc(OC(C)CC(=O)O)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)butanoic acid?
The InChIKey is XZQZDWWRUNGARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-10-4-6-11(7-5-10)15-9(2)8-12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-ethylphenoxy)butanoic acid?
3-(4-ethylphenoxy)butanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)butanoic acid is sourced from PubChem (CID 43535961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).