6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde

C17H12O6 — CID 11529700

IUPAC6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde
SMILESCOc1cc(O)ccc1-c1oc2cc3c(cc2c1C=O)OCO3
InChIInChI=1S/C17H12O6/c1-20-13-4-9(19)2-3-10(13)17-12(7-18)11-5-15-16(22-8-21-15)6-14(11)23-17/h2-7,19H,8H2,1H3
InChIKeyDIWHINIZDYGBCS-UHFFFAOYSA-N
MW312.28 g/mol
LogP3.36
Rot. Bonds3

About 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde

6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde (PubChem CID 11529700) has the molecular formula C17H12O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde.

Molecular Properties

Compound Name6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde
PubChem CID11529700
Molecular FormulaC17H12O6
Molecular Weight312.28 g/mol
Exact Mass312.06
IUPAC Name6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde
SMILESCOc1cc(O)ccc1-c1oc2cc3c(cc2c1C=O)OCO3
InChIInChI=1S/C17H12O6/c1-20-13-4-9(19)2-3-10(13)17-12(7-18)11-5-15-16(22-8-21-15)6-14(11)23-17/h2-7,19H,8H2,1H3
InChIKeyDIWHINIZDYGBCS-UHFFFAOYSA-N
XLogP3.36
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde?
The IUPAC name of 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde (CID 11529700) is 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde.
What is the SMILES notation for 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde?
The canonical SMILES for 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde is COc1cc(O)ccc1-c1oc2cc3c(cc2c1C=O)OCO3.
What is the InChIKey of 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde?
The InChIKey is DIWHINIZDYGBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O6/c1-20-13-4-9(19)2-3-10(13)17-12(7-18)11-5-15-16(22-8-21-15)6-14(11)23-17/h2-7,19H,8H2,1H3.
What are the key properties of 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde?
6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde has a molecular weight of 312.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-2-methoxyphenyl)furo[2,3-f][1,3]benzodioxole-7-carbaldehyde is sourced from PubChem (CID 11529700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).