4-(1-benzofuran-3-yl)but-3-enoic acid

C12H10O3 — CID 170483686

IUPAC4-(1-benzofuran-3-yl)but-3-enoic acid
SMILESO=C(O)CC=Cc1coc2ccccc12
InChIInChI=1S/C12H10O3/c13-12(14)7-3-4-9-8-15-11-6-2-1-5-10(9)11/h1-6,8H,7H2,(H,13,14)
InChIKeyYENMMZGDXBZWDU-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.92
Rot. Bonds3

About 4-(1-benzofuran-3-yl)but-3-enoic acid

4-(1-benzofuran-3-yl)but-3-enoic acid (PubChem CID 170483686) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)but-3-enoic acid.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)but-3-enoic acid
PubChem CID170483686
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-(1-benzofuran-3-yl)but-3-enoic acid
SMILESO=C(O)CC=Cc1coc2ccccc12
InChIInChI=1S/C12H10O3/c13-12(14)7-3-4-9-8-15-11-6-2-1-5-10(9)11/h1-6,8H,7H2,(H,13,14)
InChIKeyYENMMZGDXBZWDU-UHFFFAOYSA-N
XLogP2.92
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzofuran-3-yl)prop-2-en-1-ol
CID 169453429
N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide
CID 169465577
ethyl 3-(1-benzofuran-3-yl)prop-2-enoate
CID 169480442
(E)-4-(2-aminophenyl)but-3-enoic acid
CID 50852404
4-[2-[(E)-2-carboxyethenyl]phenyl]but-3-enoic acid
CID 170484079
(E)-3-(1-benzofuran-3-yl)-1-morpholin-4-ylprop-2-en-1-one
CID 11586936
4-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)but-3-enoic acid
CID 170484537
(E)-4-(1-benzofuran-3-yl)but-2-enoic acid
CID 116866079
(1-benzofuran-3-ylmethylideneamino)urea
CID 165348441
(E)-N-ethyl-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108794102
4-(3-chloro-2-formylphenyl)but-3-enoic acid
CID 170483467
(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid
CID 19926633

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-yl)but-3-enoic acid?
The IUPAC name of 4-(1-benzofuran-3-yl)but-3-enoic acid (CID 170483686) is 4-(1-benzofuran-3-yl)but-3-enoic acid.
What is the SMILES notation for 4-(1-benzofuran-3-yl)but-3-enoic acid?
The canonical SMILES for 4-(1-benzofuran-3-yl)but-3-enoic acid is O=C(O)CC=Cc1coc2ccccc12.
What is the InChIKey of 4-(1-benzofuran-3-yl)but-3-enoic acid?
The InChIKey is YENMMZGDXBZWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-12(14)7-3-4-9-8-15-11-6-2-1-5-10(9)11/h1-6,8H,7H2,(H,13,14).
What are the key properties of 4-(1-benzofuran-3-yl)but-3-enoic acid?
4-(1-benzofuran-3-yl)but-3-enoic acid has a molecular weight of 202.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)but-3-enoic acid is sourced from PubChem (CID 170483686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).