3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde

C15H11FO2 — CID 135294106

IUPAC3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde
SMILESCc1c(F)cc(C=O)cc1-c1ccc(C=O)cc1
InChIInChI=1S/C15H11FO2/c1-10-14(6-12(9-18)7-15(10)16)13-4-2-11(8-17)3-5-13/h2-9H,1H3
InChIKeyDSZMVKWQSGEUBM-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.43
Rot. Bonds3

About 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde

3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde (PubChem CID 135294106) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde
PubChem CID135294106
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde
SMILESCc1c(F)cc(C=O)cc1-c1ccc(C=O)cc1
InChIInChI=1S/C15H11FO2/c1-10-14(6-12(9-18)7-15(10)16)13-4-2-11(8-17)3-5-13/h2-9H,1H3
InChIKeyDSZMVKWQSGEUBM-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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Related Compounds

N-[4-(3-fluoro-5-formyl-2-methylphenyl)-2-methylphenyl]formamide
CID 135294047
N-cyclopentyl-4-(3-fluoro-5-formyl-2-methylphenyl)benzamide
CID 135294028
5-(4-formylphenyl)-2,3,4-trimethylbenzaldehyde
CID 175324399
4-(2,3-dimethylphenyl)benzaldehyde
CID 53426139
3-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
CID 81447461
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
3-[4-(dimethylamino)phenyl]-4-fluorobenzaldehyde
CID 39232113
4-(2-fluoro-4-hydroxyphenyl)benzaldehyde
CID 52983987
4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
CID 11462006
3-(3,4-difluorophenyl)-4-fluorobenzaldehyde
CID 61033610
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
4-[2-fluoro-5-(trifluoromethyl)phenyl]benzaldehyde
CID 83810230

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde?
The IUPAC name of 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde (CID 135294106) is 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde.
What is the SMILES notation for 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde?
The canonical SMILES for 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde is Cc1c(F)cc(C=O)cc1-c1ccc(C=O)cc1.
What is the InChIKey of 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde?
The InChIKey is DSZMVKWQSGEUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c1-10-14(6-12(9-18)7-15(10)16)13-4-2-11(8-17)3-5-13/h2-9H,1H3.
What are the key properties of 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde?
3-fluoro-5-(4-formylphenyl)-4-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 3-fluoro-5-(4-formylphenyl)-4-methylbenzaldehyde is sourced from PubChem (CID 135294106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).