4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde

C15H12ClFO — CID 89139648

IUPAC4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1c(F)ccc(C)c1Cl
InChIInChI=1S/C15H12ClFO/c1-9-3-6-13(17)14(15(9)16)12-5-4-11(8-18)7-10(12)2/h3-8H,1-2H3
InChIKeyVJGXMJQZRJHUNJ-UHFFFAOYSA-N
MW262.71 g/mol
LogP4.58
Rot. Bonds2

About 4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde

4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde (PubChem CID 89139648) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde
PubChem CID89139648
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1-c1c(F)ccc(C)c1Cl
InChIInChI=1S/C15H12ClFO/c1-9-3-6-13(17)14(15(9)16)12-5-4-11(8-18)7-10(12)2/h3-8H,1-2H3
InChIKeyVJGXMJQZRJHUNJ-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde?
The IUPAC name of 4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde (CID 89139648) is 4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde?
The canonical SMILES for 4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde is Cc1cc(C=O)ccc1-c1c(F)ccc(C)c1Cl.
What is the InChIKey of 4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde?
The InChIKey is VJGXMJQZRJHUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c1-9-3-6-13(17)14(15(9)16)12-5-4-11(8-18)7-10(12)2/h3-8H,1-2H3.
What are the key properties of 4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde?
4-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde 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-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbenzaldehyde is sourced from PubChem (CID 89139648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).