4-(3,5-dimethoxyphenoxy)butanoic acid

C12H16O5 — CID 43351586

IUPAC4-(3,5-dimethoxyphenoxy)butanoic acid
SMILESCOc1cc(OC)cc(OCCCC(=O)O)c1
InChIInChI=1S/C12H16O5/c1-15-9-6-10(16-2)8-11(7-9)17-5-3-4-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyXCTSNYFODLIDCS-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.95
Rot. Bonds7

About 4-(3,5-dimethoxyphenoxy)butanoic acid

4-(3,5-dimethoxyphenoxy)butanoic acid (PubChem CID 43351586) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenoxy)butanoic acid.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenoxy)butanoic acid
PubChem CID43351586
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name4-(3,5-dimethoxyphenoxy)butanoic acid
SMILESCOc1cc(OC)cc(OCCCC(=O)O)c1
InChIInChI=1S/C12H16O5/c1-15-9-6-10(16-2)8-11(7-9)17-5-3-4-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyXCTSNYFODLIDCS-UHFFFAOYSA-N
XLogP1.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethoxyphenoxy)butanoic 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

4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431
3-(3-cyano-5-methoxyphenoxy)propanoic acid
CID 103566186
4-[4-(aminomethyl)-3,5-dimethoxyphenoxy]butanoic acid
CID 68627883
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
4-(3-fluoro-4-methoxyphenoxy)butanoic acid
CID 14661621
4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
11-(3,5-dihydroxyphenoxy)undecanoic acid
CID 42626374
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenoxy)butanoic acid?
The IUPAC name of 4-(3,5-dimethoxyphenoxy)butanoic acid (CID 43351586) is 4-(3,5-dimethoxyphenoxy)butanoic acid.
What is the SMILES notation for 4-(3,5-dimethoxyphenoxy)butanoic acid?
The canonical SMILES for 4-(3,5-dimethoxyphenoxy)butanoic acid is COc1cc(OC)cc(OCCCC(=O)O)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenoxy)butanoic acid?
The InChIKey is XCTSNYFODLIDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-15-9-6-10(16-2)8-11(7-9)17-5-3-4-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(3,5-dimethoxyphenoxy)butanoic acid?
4-(3,5-dimethoxyphenoxy)butanoic acid has a molecular weight of 240.25 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenoxy)butanoic acid is sourced from PubChem (CID 43351586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).