5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde

C14H10ClFO — CID 115502480

IUPAC5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(Cl)cc2C=O)cc1F
InChIInChI=1S/C14H10ClFO/c1-9-2-3-10(7-14(9)16)13-5-4-12(15)6-11(13)8-17/h2-8H,1H3
InChIKeyWGBJRAKNRSAKBG-UHFFFAOYSA-N
MW248.68 g/mol
LogP4.27
Rot. Bonds2

About 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde

5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde (PubChem CID 115502480) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
PubChem CID115502480
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(Cl)cc2C=O)cc1F
InChIInChI=1S/C14H10ClFO/c1-9-2-3-10(7-14(9)16)13-5-4-12(15)6-11(13)8-17/h2-8H,1H3
InChIKeyWGBJRAKNRSAKBG-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

2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 115502475
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
5-chloro-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 169095205
4-chloro-2-(3-fluoro-4-methylphenyl)aniline
CID 115502446
5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
CID 66161659
2-(4-fluoro-3-methylphenyl)benzaldehyde
CID 61025610
5-(3-chloro-4-methylphenyl)-2-fluorobenzaldehyde
CID 115504092
5-chloro-2-(2,4-difluorophenyl)benzaldehyde
CID 66158909
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
CID 61032850
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
CID 134626862
2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
CID 172909463
2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde
CID 172653691

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde?
The IUPAC name of 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde (CID 115502480) is 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde is Cc1ccc(-c2ccc(Cl)cc2C=O)cc1F.
What is the InChIKey of 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde?
The InChIKey is WGBJRAKNRSAKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c1-9-2-3-10(7-14(9)16)13-5-4-12(15)6-11(13)8-17/h2-8H,1H3.
What are the key properties of 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde?
5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde 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 5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde is sourced from PubChem (CID 115502480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).