acetic acid;2-benzofuran

C10H10O3 — CID 18355457

IUPACacetic acid;2-benzofuran
SMILESCC(=O)O.c1ccc2cocc2c1
InChIInChI=1S/C8H6O.C2H4O2/c1-2-4-8-6-9-5-7(8)3-1;1-2(3)4/h1-6H;1H3,(H,3,4)
InChIKeyXDNKPHOATVHVMF-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.52
Rot. Bonds

About acetic acid;2-benzofuran

acetic acid;2-benzofuran (PubChem CID 18355457) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is acetic acid;2-benzofuran.

Molecular Properties

Compound Nameacetic acid;2-benzofuran
PubChem CID18355457
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Nameacetic acid;2-benzofuran
SMILESCC(=O)O.c1ccc2cocc2c1
InChIInChI=1S/C8H6O.C2H4O2/c1-2-4-8-6-9-5-7(8)3-1;1-2(3)4/h1-6H;1H3,(H,3,4)
InChIKeyXDNKPHOATVHVMF-UHFFFAOYSA-N
XLogP2.52
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-benzofuran?
The IUPAC name of acetic acid;2-benzofuran (CID 18355457) is acetic acid;2-benzofuran.
What is the SMILES notation for acetic acid;2-benzofuran?
The canonical SMILES for acetic acid;2-benzofuran is CC(=O)O.c1ccc2cocc2c1.
What is the InChIKey of acetic acid;2-benzofuran?
The InChIKey is XDNKPHOATVHVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C2H4O2/c1-2-4-8-6-9-5-7(8)3-1;1-2(3)4/h1-6H;1H3,(H,3,4).
What are the key properties of acetic acid;2-benzofuran?
acetic acid;2-benzofuran has a molecular weight of 178.19 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-benzofuran is sourced from PubChem (CID 18355457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).