2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde

C18H16FNO — CID 3781970

IUPAC2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
SMILESCCc1ccc(-c2[nH]c3c(C)ccc(F)c3c2C=O)cc1
InChIInChI=1S/C18H16FNO/c1-3-12-5-7-13(8-6-12)18-14(10-21)16-15(19)9-4-11(2)17(16)20-18/h4-10,20H,3H2,1-2H3
InChIKeyMIMIBJYQQYWOPR-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.66
Rot. Bonds3

About 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde

2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde (PubChem CID 3781970) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
PubChem CID3781970
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
SMILESCCc1ccc(-c2[nH]c3c(C)ccc(F)c3c2C=O)cc1
InChIInChI=1S/C18H16FNO/c1-3-12-5-7-13(8-6-12)18-14(10-21)16-15(19)9-4-11(2)17(16)20-18/h4-10,20H,3H2,1-2H3
InChIKeyMIMIBJYQQYWOPR-UHFFFAOYSA-N
XLogP4.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde
CID 3753880
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
2-(4-ethylphenyl)-4,6-difluoro-1H-indole-3-carbaldehyde
CID 123407385
2-(3,4-difluorophenyl)-5-ethyl-1H-indole-3-carbaldehyde
CID 3777313
2-(4-fluorophenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde
CID 3817795
2-[4-chloro-2-(4-ethylphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 5039749
2-(4-chlorophenyl)-4-methyl-1H-indole-3-carbaldehyde
CID 59060734
2-(4-chlorophenyl)-5,7-dimethyl-1H-indole-3-carbaldehyde
CID 3830645
2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
CID 3829817
4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 3460263
2,6-difluoro-3-methylbenzaldehyde
CID 2774137
2-(4-ethylphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3736320

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde (CID 3781970) is 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde is CCc1ccc(-c2[nH]c3c(C)ccc(F)c3c2C=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde?
The InChIKey is MIMIBJYQQYWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-3-12-5-7-13(8-6-12)18-14(10-21)16-15(19)9-4-11(2)17(16)20-18/h4-10,20H,3H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde?
2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde has a molecular weight of 281.33 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-fluoro-7-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3781970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).