4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde

C15H12ClFO — CID 165451387

IUPAC4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde
SMILESCc1cc(-c2cccc(Cl)c2F)c(C)cc1C=O
InChIInChI=1S/C15H12ClFO/c1-9-7-13(10(2)6-11(9)8-18)12-4-3-5-14(16)15(12)17/h3-8H,1-2H3
InChIKeyCSSFGQTZIVDPRN-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.58
Rot. Bonds2

About 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde

4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde (PubChem CID 165451387) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde
PubChem CID165451387
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde
SMILESCc1cc(-c2cccc(Cl)c2F)c(C)cc1C=O
InChIInChI=1S/C15H12ClFO/c1-9-7-13(10(2)6-11(9)8-18)12-4-3-5-14(16)15(12)17/h3-8H,1-2H3
InChIKeyCSSFGQTZIVDPRN-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

4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde
CID 165456739
2-(3-chloro-2-fluorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 172868911
5-chloro-2,4-dimethylbenzaldehyde
CID 82645261
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde
CID 134620169
4-(3-chloro-2-fluorophenyl)-2,6-dimethylbenzoic acid
CID 172876910
2-(3-chloro-4-methylphenyl)benzaldehyde
CID 115504091
4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
CID 81448115
2,5-dimethyl-4-pyridazin-3-ylbenzaldehyde
CID 165456747
2,5-dimethyl-4-pyridin-4-ylbenzaldehyde
CID 165456301
5-[8-(5-formyl-4-hydroxy-2-methylphenyl)naphthalen-1-yl]-2-hydroxy-4-methylbenzaldehyde
CID 139091874
2-fluoro-3-(4-methylphenyl)benzaldehyde
CID 171367900
3-(2-chloro-4,5-dimethylphenyl)-2-fluorobenzoic acid
CID 107957755

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde (CID 165451387) is 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde is Cc1cc(-c2cccc(Cl)c2F)c(C)cc1C=O.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde?
The InChIKey is CSSFGQTZIVDPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-9-7-13(10(2)6-11(9)8-18)12-4-3-5-14(16)15(12)17/h3-8H,1-2H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde?
4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde 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 4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde is sourced from PubChem (CID 165451387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).