acetaldehyde;1-benzofuran-7-ol

C10H10O3 — CID 87738813

IUPACacetaldehyde;1-benzofuran-7-ol
SMILESCC=O.Oc1cccc2ccoc12
InChIInChI=1S/C8H6O2.C2H4O/c9-7-3-1-2-6-4-5-10-8(6)7;1-2-3/h1-5,9H;2H,1H3
InChIKeyUMCSTXRTGYERPZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.34
Rot. Bonds

About acetaldehyde;1-benzofuran-7-ol

acetaldehyde;1-benzofuran-7-ol (PubChem CID 87738813) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is acetaldehyde;1-benzofuran-7-ol.

Molecular Properties

Compound Nameacetaldehyde;1-benzofuran-7-ol
PubChem CID87738813
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Nameacetaldehyde;1-benzofuran-7-ol
SMILESCC=O.Oc1cccc2ccoc12
InChIInChI=1S/C8H6O2.C2H4O/c9-7-3-1-2-6-4-5-10-8(6)7;1-2-3/h1-5,9H;2H,1H3
InChIKeyUMCSTXRTGYERPZ-UHFFFAOYSA-N
XLogP2.34
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Xanthotoxol
CID 65090
Benzofuran-2-carboxylic acid
CID 10331
XH-14
CID 6709746
Ethanone, 1-(7-methoxy-2-benzofuranyl)-
CID 39378
5-Methoxybenzofuran
CID 25943
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
Eupomatenoid 5
CID 6443783
Benzofuran-5-ol
CID 11651159
1-(7-Ethoxy-1-benzofuran-2-yl)ethan-1-one
CID 3868801
2-Butyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
CID 11000257
2-(4-Hydroxy-phenyl)-7-methoxy-benzofuran-5-ol
CID 10286022
Cacalol
CID 181105

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-benzofuran-7-ol?
The IUPAC name of acetaldehyde;1-benzofuran-7-ol (CID 87738813) is acetaldehyde;1-benzofuran-7-ol.
What is the SMILES notation for acetaldehyde;1-benzofuran-7-ol?
The canonical SMILES for acetaldehyde;1-benzofuran-7-ol is CC=O.Oc1cccc2ccoc12.
What is the InChIKey of acetaldehyde;1-benzofuran-7-ol?
The InChIKey is UMCSTXRTGYERPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.C2H4O/c9-7-3-1-2-6-4-5-10-8(6)7;1-2-3/h1-5,9H;2H,1H3.
What are the key properties of acetaldehyde;1-benzofuran-7-ol?
acetaldehyde;1-benzofuran-7-ol has a molecular weight of 178.19 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-benzofuran-7-ol is sourced from PubChem (CID 87738813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).