2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde

C18H19FO — CID 63424637

IUPAC2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
SMILESCc1c(C)c(C)c(-c2ccc(C=O)c(F)c2)c(C)c1C
InChIInChI=1S/C18H19FO/c1-10-11(2)13(4)18(14(5)12(10)3)15-6-7-16(9-20)17(19)8-15/h6-9H,1-5H3
InChIKeyVMQQBJLAXIUCBZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.85
Rot. Bonds2

About 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde

2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde (PubChem CID 63424637) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
PubChem CID63424637
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde
SMILESCc1c(C)c(C)c(-c2ccc(C=O)c(F)c2)c(C)c1C
InChIInChI=1S/C18H19FO/c1-10-11(2)13(4)18(14(5)12(10)3)15-6-7-16(9-20)17(19)8-15/h6-9H,1-5H3
InChIKeyVMQQBJLAXIUCBZ-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.85
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-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
CID 54912741
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
CID 61032850
2-fluoro-4-(2-methylthiophen-3-yl)benzaldehyde
CID 102834299
4-(1,4-dimethylbenzimidazol-5-yl)-2-fluorobenzaldehyde
CID 59474635
2-methyl-4-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650737
2-fluoro-4-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474411
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
CID 107476828
2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
CID 21252414
CID 88874585
CID 88874585
2-fluoro-4-[4-(trifluoromethyl)phenyl]benzaldehyde;[4-(trifluoromethyl)phenyl]boronic acid
CID 158070252
4-[2,4-di(propan-2-yl)phenyl]-2-fluorobenzaldehyde
CID 63424861

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde (CID 63424637) is 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde is Cc1c(C)c(C)c(-c2ccc(C=O)c(F)c2)c(C)c1C.
What is the InChIKey of 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde?
The InChIKey is VMQQBJLAXIUCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-10-11(2)13(4)18(14(5)12(10)3)15-6-7-16(9-20)17(19)8-15/h6-9H,1-5H3.
What are the key properties of 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde?
2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde has a molecular weight of 270.35 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2,3,4,5,6-pentamethylphenyl)benzaldehyde is sourced from PubChem (CID 63424637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).