6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde

C17H14O6 — CID 102208348

IUPAC6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde
SMILESCOc1cc(-c2oc3cc(O)ccc3c2C=O)c(OC)cc1O
InChIInChI=1S/C17H14O6/c1-21-14-7-13(20)16(22-2)6-11(14)17-12(8-18)10-4-3-9(19)5-15(10)23-17/h3-8,19-20H,1-2H3
InChIKeySVVGZXKQDCEBAU-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.34
Rot. Bonds4

About 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde

6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde (PubChem CID 102208348) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde
PubChem CID102208348
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde
SMILESCOc1cc(-c2oc3cc(O)ccc3c2C=O)c(OC)cc1O
InChIInChI=1S/C17H14O6/c1-21-14-7-13(20)16(22-2)6-11(14)17-12(8-18)10-4-3-9(19)5-15(10)23-17/h3-8,19-20H,1-2H3
InChIKeySVVGZXKQDCEBAU-UHFFFAOYSA-N
XLogP3.34
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde
CID 11529700
2-(6-hydroxy-1,3-benzodioxol-5-yl)-6-methoxy-1-benzofuran-3-carbaldehyde
CID 11587670
6-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 122392454
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-7-hydroxychromen-2-one
CID 125039043
2-(2,4-dihydroxyphenyl)-4-hydroxy-5-(2-hydroxy-3-methylbut-3-enyl)-6-methoxy-1-benzofuran-3-carbaldehyde
CID 25157570
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
9-methoxy-6H-[1]benzofuro[3,2-c]chromene-3,8-diol
CID 101092239
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
7-hydroxy-2-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one
CID 101450486
4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde?
The IUPAC name of 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde (CID 102208348) is 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde is COc1cc(-c2oc3cc(O)ccc3c2C=O)c(OC)cc1O.
What is the InChIKey of 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde?
The InChIKey is SVVGZXKQDCEBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-21-14-7-13(20)16(22-2)6-11(14)17-12(8-18)10-4-3-9(19)5-15(10)23-17/h3-8,19-20H,1-2H3.
What are the key properties of 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde?
6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde has a molecular weight of 314.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 102208348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).