5-(4-methoxyphenyl)furan-2-carbaldehyde

C12H10O3 — CID 2759655

IUPAC5-(4-methoxyphenyl)furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C12H10O3/c1-14-10-4-2-9(3-5-10)12-7-6-11(8-13)15-12/h2-8H,1H3
InChIKeyJPCUGGGXLKGQEP-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.77
Rot. Bonds3

About 5-(4-methoxyphenyl)furan-2-carbaldehyde

5-(4-methoxyphenyl)furan-2-carbaldehyde (PubChem CID 2759655) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methoxyphenyl)furan-2-carbaldehyde
PubChem CID2759655
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name5-(4-methoxyphenyl)furan-2-carbaldehyde
SMILESCOc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C12H10O3/c1-14-10-4-2-9(3-5-10)12-7-6-11(8-13)15-12/h2-8H,1H3
InChIKeyJPCUGGGXLKGQEP-UHFFFAOYSA-N
XLogP2.77
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-methoxyphenyl)furan-2-carbaldehyde (CID 2759655) is 5-(4-methoxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-methoxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-methoxyphenyl)furan-2-carbaldehyde is COc1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)furan-2-carbaldehyde?
The InChIKey is JPCUGGGXLKGQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-14-10-4-2-9(3-5-10)12-7-6-11(8-13)15-12/h2-8H,1H3.
What are the key properties of 5-(4-methoxyphenyl)furan-2-carbaldehyde?
5-(4-methoxyphenyl)furan-2-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 2759655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).