6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde

C12H12O4 — CID 82392798

IUPAC6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde
SMILESCOc1c(O)c(C=O)cc2c(C)c(C)oc12
InChIInChI=1S/C12H12O4/c1-6-7(2)16-11-9(6)4-8(5-13)10(14)12(11)15-3/h4-5,14H,1-3H3
InChIKeyBNARMYGKUMSNEX-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.58
Rot. Bonds2

About 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde

6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde (PubChem CID 82392798) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde
PubChem CID82392798
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde
SMILESCOc1c(O)c(C=O)cc2c(C)c(C)oc12
InChIInChI=1S/C12H12O4/c1-6-7(2)16-11-9(6)4-8(5-13)10(14)12(11)15-3/h4-5,14H,1-3H3
InChIKeyBNARMYGKUMSNEX-UHFFFAOYSA-N
XLogP2.58
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
CID 15108317
4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde
CID 29731
9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 10106552
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde
CID 77107216
4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
CID 23468872
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
CID 3506623
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid
CID 23468813
6-bromo-5,7,8-trimethoxy-2-oxochromene-3-carbaldehyde
CID 134911721
3-chloro-5-hydroxy-4-methoxy-2-methylbenzaldehyde
CID 105453179

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde?
The IUPAC name of 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde (CID 82392798) is 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde.
What is the SMILES notation for 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde?
The canonical SMILES for 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde is COc1c(O)c(C=O)cc2c(C)c(C)oc12.
What is the InChIKey of 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde?
The InChIKey is BNARMYGKUMSNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-6-7(2)16-11-9(6)4-8(5-13)10(14)12(11)15-3/h4-5,14H,1-3H3.
What are the key properties of 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde?
6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde has a molecular weight of 220.22 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde is sourced from PubChem (CID 82392798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).