5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde

C18H14O3 — CID 169332736

IUPAC5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
SMILESCOc1ccccc1-c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C18H14O3/c1-20-18-5-3-2-4-16(18)13-6-8-14(9-7-13)17-11-10-15(12-19)21-17/h2-12H,1H3
InChIKeyVMWWKPCNOUEPEA-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.43
Rot. Bonds4

About 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde

5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde (PubChem CID 169332736) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
PubChem CID169332736
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
SMILESCOc1ccccc1-c1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C18H14O3/c1-20-18-5-3-2-4-16(18)13-6-8-14(9-7-13)17-11-10-15(12-19)21-17/h2-12H,1H3
InChIKeyVMWWKPCNOUEPEA-UHFFFAOYSA-N
XLogP4.43
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.43
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-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-(2-methoxyphenyl)-5-(4-methoxyphenyl)furan
CID 132514365
5-(4-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 130565682
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335432
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
furan;5-phenylfuran-2-carbaldehyde
CID 175007564

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde (CID 169332736) is 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde is COc1ccccc1-c1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde?
The InChIKey is VMWWKPCNOUEPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-18-5-3-2-4-16(18)13-6-8-14(9-7-13)17-11-10-15(12-19)21-17/h2-12H,1H3.
What are the key properties of 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde?
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde has a molecular weight of 278.31 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).