2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde

C15H13FO2 — CID 54910260

IUPAC2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)c(F)c2)c(C)c1
InChIInChI=1S/C15H13FO2/c1-10-7-13(18-2)5-6-14(10)11-3-4-12(9-17)15(16)8-11/h3-9H,1-2H3
InChIKeyLBXKNBHKKOYTQG-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.62
Rot. Bonds3

About 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde

2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde (PubChem CID 54910260) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
PubChem CID54910260
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(C=O)c(F)c2)c(C)c1
InChIInChI=1S/C15H13FO2/c1-10-7-13(18-2)5-6-14(10)11-3-4-12(9-17)15(16)8-11/h3-9H,1-2H3
InChIKeyLBXKNBHKKOYTQG-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde (CID 54910260) is 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde is COc1ccc(-c2ccc(C=O)c(F)c2)c(C)c1.
What is the InChIKey of 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde?
The InChIKey is LBXKNBHKKOYTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10-7-13(18-2)5-6-14(10)11-3-4-12(9-17)15(16)8-11/h3-9H,1-2H3.
What are the key properties of 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde?
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde has a molecular weight of 244.26 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde is sourced from PubChem (CID 54910260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).