2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde

C15H11FO2 — CID 175847357

IUPAC2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1-c1c(F)cccc1C=O
InChIInChI=1S/C15H11FO2/c1-10-4-2-5-11(8-17)14(10)15-12(9-18)6-3-7-13(15)16/h2-9H,1H3
InChIKeyATKMURICXNTHFU-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.43
Rot. Bonds3

About 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde

2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde (PubChem CID 175847357) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
PubChem CID175847357
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
SMILESCc1cccc(C=O)c1-c1c(F)cccc1C=O
InChIInChI=1S/C15H11FO2/c1-10-4-2-5-11(8-17)14(10)15-12(9-18)6-3-7-13(15)16/h2-9H,1H3
InChIKeyATKMURICXNTHFU-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde?
The IUPAC name of 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde (CID 175847357) is 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde.
What is the SMILES notation for 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde?
The canonical SMILES for 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde is Cc1cccc(C=O)c1-c1c(F)cccc1C=O.
What is the InChIKey of 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde?
The InChIKey is ATKMURICXNTHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c1-10-4-2-5-11(8-17)14(10)15-12(9-18)6-3-7-13(15)16/h2-9H,1H3.
What are the key properties of 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde?
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde has a molecular weight of 242.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde is sourced from PubChem (CID 175847357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).