3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde

C14H10ClFO — CID 105408282

IUPAC3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1-c1cc(F)ccc1Cl
InChIInChI=1S/C14H10ClFO/c1-9-2-3-10(8-17)6-12(9)13-7-11(16)4-5-14(13)15/h2-8H,1H3
InChIKeySXDHANYDIUJEKW-UHFFFAOYSA-N
MW248.68 g/mol
LogP4.27
Rot. Bonds2

About 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde

3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde (PubChem CID 105408282) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
PubChem CID105408282
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1-c1cc(F)ccc1Cl
InChIInChI=1S/C14H10ClFO/c1-9-2-3-10(8-17)6-12(9)13-7-11(16)4-5-14(13)15/h2-8H,1H3
InChIKeySXDHANYDIUJEKW-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 54.27
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-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
CID 172653843
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
4-chloro-3-(3-fluorophenyl)benzaldehyde
CID 82106981
3-(2,4-difluoro-5-methylphenyl)-4-methylbenzaldehyde
CID 105409734
3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde
CID 61033101
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927
2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde
CID 172909457
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651197
4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde
CID 89139648
8-(6-chloro-2-fluoro-3-methylphenyl)-5,6-dihydronaphthalene-2-carbaldehyde
CID 143762424

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde (CID 105408282) is 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde is Cc1ccc(C=O)cc1-c1cc(F)ccc1Cl.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde?
The InChIKey is SXDHANYDIUJEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c1-9-2-3-10(8-17)6-12(9)13-7-11(16)4-5-14(13)15/h2-8H,1H3.
What are the key properties of 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde?
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde has a molecular weight of 248.68 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde is sourced from PubChem (CID 105408282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).