2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid

C12H12O5 — CID 23335826

IUPAC2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCC(=O)OC(C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H12O5/c1-7(13)17-11(12(14)15)9-2-3-10-8(6-9)4-5-16-10/h2-3,6,11H,4-5H2,1H3,(H,14,15)
InChIKeyZYHYFWGGEQLBPZ-UHFFFAOYSA-N
MW236.22 g/mol
LogP1.31
Rot. Bonds3

About 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid

2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid (PubChem CID 23335826) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
PubChem CID23335826
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Name2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCC(=O)OC(C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H12O5/c1-7(13)17-11(12(14)15)9-2-3-10-8(6-9)4-5-16-10/h2-3,6,11H,4-5H2,1H3,(H,14,15)
InChIKeyZYHYFWGGEQLBPZ-UHFFFAOYSA-N
XLogP1.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)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

ethyl 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 54458812
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377869
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
3-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)-2-methylpropanoic acid
CID 116908097
2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 63702713
2-[cyclopropyl(methyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 116857496
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde
CID 130690343
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The IUPAC name of 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid (CID 23335826) is 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid.
What is the SMILES notation for 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The canonical SMILES for 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid is CC(=O)OC(C(=O)O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The InChIKey is ZYHYFWGGEQLBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O5/c1-7(13)17-11(12(14)15)9-2-3-10-8(6-9)4-5-16-10/h2-3,6,11H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid?
2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid has a molecular weight of 236.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid is sourced from PubChem (CID 23335826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).