7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde

C18H17NO3 — CID 139994759

IUPAC7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde
SMILESCOc1ncc(C=O)c2cc(-c3ccccc3C(C)C)oc12
InChIInChI=1S/C18H17NO3/c1-11(2)13-6-4-5-7-14(13)16-8-15-12(10-20)9-19-18(21-3)17(15)22-16/h4-11H,1-3H3
InChIKeyNLXARUBLQNDDED-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.44
Rot. Bonds4

About 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde

7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde (PubChem CID 139994759) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde
PubChem CID139994759
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde
SMILESCOc1ncc(C=O)c2cc(-c3ccccc3C(C)C)oc12
InChIInChI=1S/C18H17NO3/c1-11(2)13-6-4-5-7-14(13)16-8-15-12(10-20)9-19-18(21-3)17(15)22-16/h4-11H,1-3H3
InChIKeyNLXARUBLQNDDED-UHFFFAOYSA-N
XLogP4.44
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde?
The IUPAC name of 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde (CID 139994759) is 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde.
What is the SMILES notation for 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde?
The canonical SMILES for 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde is COc1ncc(C=O)c2cc(-c3ccccc3C(C)C)oc12.
What is the InChIKey of 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde?
The InChIKey is NLXARUBLQNDDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11(2)13-6-4-5-7-14(13)16-8-15-12(10-20)9-19-18(21-3)17(15)22-16/h4-11H,1-3H3.
What are the key properties of 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde?
7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde has a molecular weight of 295.34 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde is sourced from PubChem (CID 139994759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).