2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde

C15H12F2O2 — CID 114276745

IUPAC2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde
SMILESCc1ccc(Oc2cc(F)c(F)cc2C)c(C=O)c1
InChIInChI=1S/C15H12F2O2/c1-9-3-4-14(11(5-9)8-18)19-15-7-13(17)12(16)6-10(15)2/h3-8H,1-2H3
InChIKeyWJRSIYQVKJSJOA-UHFFFAOYSA-N
MW262.25 g/mol
LogP4.19
Rot. Bonds3

About 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde

2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde (PubChem CID 114276745) has the molecular formula C15H12F2O2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde
PubChem CID114276745
Molecular FormulaC15H12F2O2
Molecular Weight262.25 g/mol
Exact Mass262.08
IUPAC Name2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde
SMILESCc1ccc(Oc2cc(F)c(F)cc2C)c(C=O)c1
InChIInChI=1S/C15H12F2O2/c1-9-3-4-14(11(5-9)8-18)19-15-7-13(17)12(16)6-10(15)2/h3-8H,1-2H3
InChIKeyWJRSIYQVKJSJOA-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
4-bromo-2-(2,4-dimethylphenoxy)benzaldehyde
CID 43364692
2-(2-tert-butyl-5-methylphenoxy)-5-chlorobenzaldehyde
CID 114844809
2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
CID 172909442
2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
CID 63269304
3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde
CID 114276742
5-fluoro-2-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 61038190

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde?
The IUPAC name of 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde (CID 114276745) is 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde.
What is the SMILES notation for 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde?
The canonical SMILES for 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde is Cc1ccc(Oc2cc(F)c(F)cc2C)c(C=O)c1.
What is the InChIKey of 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde?
The InChIKey is WJRSIYQVKJSJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O2/c1-9-3-4-14(11(5-9)8-18)19-15-7-13(17)12(16)6-10(15)2/h3-8H,1-2H3.
What are the key properties of 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde?
2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde has a molecular weight of 262.25 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde is sourced from PubChem (CID 114276745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).