2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid

C13H16O4 — CID 139576547

IUPAC2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid
SMILESC=CC(C)Oc1cc(OC)ccc1CC(=O)O
InChIInChI=1S/C13H16O4/c1-4-9(2)17-12-8-11(16-3)6-5-10(12)7-13(14)15/h4-6,8-9H,1,7H2,2-3H3,(H,14,15)
InChIKeyMDKQBHBAUSSMDT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.28
Rot. Bonds6

About 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid

2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid (PubChem CID 139576547) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid
PubChem CID139576547
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid
SMILESC=CC(C)Oc1cc(OC)ccc1CC(=O)O
InChIInChI=1S/C13H16O4/c1-4-9(2)17-12-8-11(16-3)6-5-10(12)7-13(14)15/h4-6,8-9H,1,7H2,2-3H3,(H,14,15)
InChIKeyMDKQBHBAUSSMDT-UHFFFAOYSA-N
XLogP2.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic 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-but-3-en-2-yloxy-5-methoxyphenyl)methanamine
CID 62389675
2-(4-methoxy-2-propan-2-ylphenyl)acetic acid
CID 82054161
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
CID 55134399
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
potassium (2-but-3-en-2-yloxy-5-methoxyphenyl)-trifluoroboranuide
CID 104706192
2,4-dimethoxy-1-prop-2-enylbenzene;pentan-3-one
CID 175249444
2-[2-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 61269245
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 61267293
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
CID 83941599

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid (CID 139576547) is 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid is C=CC(C)Oc1cc(OC)ccc1CC(=O)O.
What is the InChIKey of 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid?
The InChIKey is MDKQBHBAUSSMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-9(2)17-12-8-11(16-3)6-5-10(12)7-13(14)15/h4-6,8-9H,1,7H2,2-3H3,(H,14,15).
What are the key properties of 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid?
2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-en-2-yloxy-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 139576547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).