4-(2,3-difluoro-4-methylphenoxy)benzaldehyde

C14H10F2O2 — CID 173255133

IUPAC4-(2,3-difluoro-4-methylphenoxy)benzaldehyde
SMILESCc1ccc(Oc2ccc(C=O)cc2)c(F)c1F
InChIInChI=1S/C14H10F2O2/c1-9-2-7-12(14(16)13(9)15)18-11-5-3-10(8-17)4-6-11/h2-8H,1H3
InChIKeyQOCCNAJTXLSQMW-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.88
Rot. Bonds3

About 4-(2,3-difluoro-4-methylphenoxy)benzaldehyde

4-(2,3-difluoro-4-methylphenoxy)benzaldehyde (PubChem CID 173255133) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-methylphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2,3-difluoro-4-methylphenoxy)benzaldehyde
PubChem CID173255133
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name4-(2,3-difluoro-4-methylphenoxy)benzaldehyde
SMILESCc1ccc(Oc2ccc(C=O)cc2)c(F)c1F
InChIInChI=1S/C14H10F2O2/c1-9-2-7-12(14(16)13(9)15)18-11-5-3-10(8-17)4-6-11/h2-8H,1H3
InChIKeyQOCCNAJTXLSQMW-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-methylphenoxy)benzaldehyde?
The IUPAC name of 4-(2,3-difluoro-4-methylphenoxy)benzaldehyde (CID 173255133) is 4-(2,3-difluoro-4-methylphenoxy)benzaldehyde.
What is the SMILES notation for 4-(2,3-difluoro-4-methylphenoxy)benzaldehyde?
The canonical SMILES for 4-(2,3-difluoro-4-methylphenoxy)benzaldehyde is Cc1ccc(Oc2ccc(C=O)cc2)c(F)c1F.
What is the InChIKey of 4-(2,3-difluoro-4-methylphenoxy)benzaldehyde?
The InChIKey is QOCCNAJTXLSQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-9-2-7-12(14(16)13(9)15)18-11-5-3-10(8-17)4-6-11/h2-8H,1H3.
What are the key properties of 4-(2,3-difluoro-4-methylphenoxy)benzaldehyde?
4-(2,3-difluoro-4-methylphenoxy)benzaldehyde 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-difluoro-4-methylphenoxy)benzaldehyde is sourced from PubChem (CID 173255133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).