5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde

C17H14O3 — CID 169332932

IUPAC5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3oc4c(c3c2)CCCC4)o1
InChIInChI=1S/C17H14O3/c18-10-12-6-8-15(19-12)11-5-7-17-14(9-11)13-3-1-2-4-16(13)20-17/h5-10H,1-4H2
InChIKeyBLVFODMHVMGVHE-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.38
Rot. Bonds2

About 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde

5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde (PubChem CID 169332932) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde
PubChem CID169332932
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3oc4c(c3c2)CCCC4)o1
InChIInChI=1S/C17H14O3/c18-10-12-6-8-15(19-12)11-5-7-17-14(9-11)13-3-1-2-4-16(13)20-17/h5-10H,1-4H2
InChIKeyBLVFODMHVMGVHE-UHFFFAOYSA-N
XLogP4.38
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(8-oxo-5,6,7,9-tetrahydrocarbazol-2-yl)furan-2-carbaldehyde
CID 169335064
5-(3-iodo-4-methylphenyl)furan-2-carbaldehyde
CID 130498195
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554
5-(5-formylfuran-3-yl)furan-2-carbaldehyde
CID 175213129
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169333937
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-[3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169332676
5-(3-methylsulfanyl-1H-indol-5-yl)furan-2-carbaldehyde
CID 169335127
5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
CID 169335056
5-(1,2-benzoxazol-6-yl)furan-2-carbaldehyde
CID 169335702

Frequently Asked Questions

What is the IUPAC name of 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde (CID 169332932) is 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2ccc3oc4c(c3c2)CCCC4)o1.
What is the InChIKey of 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde?
The InChIKey is BLVFODMHVMGVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-10-12-6-8-15(19-12)11-5-7-17-14(9-11)13-3-1-2-4-16(13)20-17/h5-10H,1-4H2.
What are the key properties of 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde?
5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde has a molecular weight of 266.30 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7,8,9-tetrahydrodibenzofuran-2-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169332932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).