2-(2,5-difluorophenoxy)-5-methylbenzaldehyde

C14H10F2O2 — CID 114054339

IUPAC2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
SMILESCc1ccc(Oc2cc(F)ccc2F)c(C=O)c1
InChIInChI=1S/C14H10F2O2/c1-9-2-5-13(10(6-9)8-17)18-14-7-11(15)3-4-12(14)16/h2-8H,1H3
InChIKeyYXKYVEUMJYIOTJ-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.88
Rot. Bonds3

About 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde

2-(2,5-difluorophenoxy)-5-methylbenzaldehyde (PubChem CID 114054339) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
PubChem CID114054339
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
SMILESCc1ccc(Oc2cc(F)ccc2F)c(C=O)c1
InChIInChI=1S/C14H10F2O2/c1-9-2-5-13(10(6-9)8-17)18-14-7-11(15)3-4-12(14)16/h2-8H,1H3
InChIKeyYXKYVEUMJYIOTJ-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 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
CID 63269304
2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde
CID 114276745
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 61038190
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde
CID 114844809
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
CID 104707930

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde?
The IUPAC name of 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde (CID 114054339) is 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde?
The canonical SMILES for 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde is Cc1ccc(Oc2cc(F)ccc2F)c(C=O)c1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde?
The InChIKey is YXKYVEUMJYIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-9-2-5-13(10(6-9)8-17)18-14-7-11(15)3-4-12(14)16/h2-8H,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde?
2-(2,5-difluorophenoxy)-5-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 2-(2,5-difluorophenoxy)-5-methylbenzaldehyde is sourced from PubChem (CID 114054339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).