2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde

C11H12O3 — CID 83877987

IUPAC2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
SMILESCC1Cc2cc(O)c(CC=O)cc2O1
InChIInChI=1S/C11H12O3/c1-7-4-9-5-10(13)8(2-3-12)6-11(9)14-7/h3,5-7,13H,2,4H2,1H3
InChIKeyFFADKSPLIZZKFV-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.46
Rot. Bonds2

About 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde

2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde (PubChem CID 83877987) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
PubChem CID83877987
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
SMILESCC1Cc2cc(O)c(CC=O)cc2O1
InChIInChI=1S/C11H12O3/c1-7-4-9-5-10(13)8(2-3-12)6-11(9)14-7/h3,5-7,13H,2,4H2,1H3
InChIKeyFFADKSPLIZZKFV-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.46
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

4-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 83897017
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863
1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83877984
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 139704996
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
2-amino-2-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 83891030
(2R)-7-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-2,6-diol
CID 142737377
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
2-formamido-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115349448
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoic acid
CID 115349492
[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylazanium
CID 7129379

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde?
The IUPAC name of 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde (CID 83877987) is 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde.
What is the SMILES notation for 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde?
The canonical SMILES for 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde is CC1Cc2cc(O)c(CC=O)cc2O1.
What is the InChIKey of 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde?
The InChIKey is FFADKSPLIZZKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-4-9-5-10(13)8(2-3-12)6-11(9)14-7/h3,5-7,13H,2,4H2,1H3.
What are the key properties of 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde?
2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde is sourced from PubChem (CID 83877987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).