4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde

C15H12ClFO2 — CID 29272244

IUPAC4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(C=O)cc1F
InChIInChI=1S/C15H12ClFO2/c1-9-5-12(16)6-10(2)15(9)19-14-4-3-11(8-18)7-13(14)17/h3-8H,1-2H3
InChIKeyHVVYOJLICYTVQD-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.70
Rot. Bonds3

About 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde

4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde (PubChem CID 29272244) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde
PubChem CID29272244
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(C=O)cc1F
InChIInChI=1S/C15H12ClFO2/c1-9-5-12(16)6-10(2)15(9)19-14-4-3-11(8-18)7-13(14)17/h3-8H,1-2H3
InChIKeyHVVYOJLICYTVQD-UHFFFAOYSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde 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

4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
(1S)-1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]ethanol
CID 78944746
1-[4-(4-chloro-2,6-dimethylphenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285262
4-(2,6-dichloro-4-nitrophenoxy)-3-fluorobenzaldehyde
CID 62098122
4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde
CID 63050225
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172
6-(4-chloro-2,6-dimethylphenoxy)pyridine-3-carbaldehyde
CID 80632849
4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387
3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde
CID 133417122
3,5-difluoro-4-(2,3,6-trimethylphenoxy)benzaldehyde
CID 63534797
3-fluoro-4-(6-methoxy-3-methyl-2-phenylnaphthalen-1-yl)oxybenzaldehyde
CID 86616640

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde (CID 29272244) is 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde is Cc1cc(Cl)cc(C)c1Oc1ccc(C=O)cc1F.
What is the InChIKey of 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde?
The InChIKey is HVVYOJLICYTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-9-5-12(16)6-10(2)15(9)19-14-4-3-11(8-18)7-13(14)17/h3-8H,1-2H3.
What are the key properties of 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde?
4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde has a molecular weight of 278.71 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 29272244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).