2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde

C15H12ClFO — CID 106882217

IUPAC2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde
SMILESCc1cc(C)c(-c2ccc(C=O)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H12ClFO/c1-9-5-10(2)15(14(17)6-9)11-3-4-12(8-18)13(16)7-11/h3-8H,1-2H3
InChIKeyBDKHCFPWHJWIDJ-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.58
Rot. Bonds2

About 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde

2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde (PubChem CID 106882217) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde
PubChem CID106882217
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde
SMILESCc1cc(C)c(-c2ccc(C=O)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H12ClFO/c1-9-5-10(2)15(14(17)6-9)11-3-4-12(8-18)13(16)7-11/h3-8H,1-2H3
InChIKeyBDKHCFPWHJWIDJ-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-2-methylanthraquinone
CID 8509
10-Chloro-9-anthraldehyde
CID 82703
3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde
CID 1392533
1-Chloroanthrone
CID 408811
2'-Chloro-[1,1'-biphenyl]-2-carbaldehyde
CID 1392375
3'-Chlorobiphenyl-2-carbaldehyde
CID 1392515
4'-Chlorobiphenyl-2-carbaldehyde
CID 1393689
3-(4-Chlorophenyl)benzaldehyde
CID 1394238
4-(3,5-Dichlorophenyl)benzaldehyde
CID 2758154
4'-Chloro[1,1'-biphenyl]-4-carbaldehyde
CID 592570
6-Chloro-2-fluoro-3-methylbenzaldehyde
CID 1268278
2-Chloro-6-methylbenzaldehyde
CID 12467050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde?
The IUPAC name of 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde (CID 106882217) is 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde?
The canonical SMILES for 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde is Cc1cc(C)c(-c2ccc(C=O)c(Cl)c2)c(F)c1.
What is the InChIKey of 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde?
The InChIKey is BDKHCFPWHJWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-9-5-10(2)15(14(17)6-9)11-3-4-12(8-18)13(16)7-11/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde?
2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde has a molecular weight of 262.71 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluoro-4,6-dimethylphenyl)benzaldehyde is sourced from PubChem (CID 106882217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).