2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde

C11H10O3 — CID 114724114

IUPAC2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
SMILESCc1ccc2oc(C(O)C=O)cc2c1
InChIInChI=1S/C11H10O3/c1-7-2-3-10-8(4-7)5-11(14-10)9(13)6-12/h2-6,9,13H,1H3
InChIKeyHSVKPPUAQHMGMT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.97
Rot. Bonds2

About 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde

2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde (PubChem CID 114724114) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
PubChem CID114724114
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
SMILESCc1ccc2oc(C(O)C=O)cc2c1
InChIInChI=1S/C11H10O3/c1-7-2-3-10-8(4-7)5-11(14-10)9(13)6-12/h2-6,9,13H,1H3
InChIKeyHSVKPPUAQHMGMT-UHFFFAOYSA-N
XLogP1.97
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.97
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

3-methyl-1-(5-methyl-1-benzofuran-2-yl)but-2-en-1-ol
CID 105110231
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-ol
CID 115836378
(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
CID 114735119
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
(2-fluoro-4,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 106884110
2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726820
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
(3-fluoro-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727112
(4-bromo-3,5-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727481

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde?
The IUPAC name of 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde (CID 114724114) is 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde.
What is the SMILES notation for 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde?
The canonical SMILES for 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde is Cc1ccc2oc(C(O)C=O)cc2c1.
What is the InChIKey of 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde?
The InChIKey is HSVKPPUAQHMGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-2-3-10-8(4-7)5-11(14-10)9(13)6-12/h2-6,9,13H,1H3.
What are the key properties of 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde?
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde is sourced from PubChem (CID 114724114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).