4-(2,3-difluorophenoxy)-2-methylbenzaldehyde

C14H10F2O2 — CID 63038344

IUPAC4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
SMILESCc1cc(Oc2cccc(F)c2F)ccc1C=O
InChIInChI=1S/C14H10F2O2/c1-9-7-11(6-5-10(9)8-17)18-13-4-2-3-12(15)14(13)16/h2-8H,1H3
InChIKeySAUXEOFHCNEFDI-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.88
Rot. Bonds3

About 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde

4-(2,3-difluorophenoxy)-2-methylbenzaldehyde (PubChem CID 63038344) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
PubChem CID63038344
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
SMILESCc1cc(Oc2cccc(F)c2F)ccc1C=O
InChIInChI=1S/C14H10F2O2/c1-9-7-11(6-5-10(9)8-17)18-13-4-2-3-12(15)14(13)16/h2-8H,1H3
InChIKeySAUXEOFHCNEFDI-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde?
The IUPAC name of 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde (CID 63038344) is 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde.
What is the SMILES notation for 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde?
The canonical SMILES for 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde is Cc1cc(Oc2cccc(F)c2F)ccc1C=O.
What is the InChIKey of 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde?
The InChIKey is SAUXEOFHCNEFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-9-7-11(6-5-10(9)8-17)18-13-4-2-3-12(15)14(13)16/h2-8H,1H3.
What are the key properties of 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde?
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)-2-methylbenzaldehyde is sourced from PubChem (CID 63038344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).