7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde

C18H16FNO2 — CID 3798198

IUPAC7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCCc1cccc2c(C=O)c(-c3cc(F)ccc3OC)[nH]c12
InChIInChI=1S/C18H16FNO2/c1-3-11-5-4-6-13-15(10-21)18(20-17(11)13)14-9-12(19)7-8-16(14)22-2/h4-10,20H,3H2,1-2H3
InChIKeyHEAZCWZXIFPGQL-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.36
Rot. Bonds4

About 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde

7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde (PubChem CID 3798198) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
PubChem CID3798198
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCCc1cccc2c(C=O)c(-c3cc(F)ccc3OC)[nH]c12
InChIInChI=1S/C18H16FNO2/c1-3-11-5-4-6-13-15(10-21)18(20-17(11)13)14-9-12(19)7-8-16(14)22-2/h4-10,20H,3H2,1-2H3
InChIKeyHEAZCWZXIFPGQL-UHFFFAOYSA-N
XLogP4.36
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 3474339
5-tert-butyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 5143161
7-chloro-2-(2-ethylphenyl)-1H-indole-3-carbaldehyde
CID 123197725
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
1-ethyl-6,7-dimethoxy-9H-carbazole
CID 23270445
2-[2-(5-fluoro-2-methoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4009632
2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
CID 3764850
2-(2,5-dimethylthiophen-3-yl)-7-fluoro-1H-indole-3-carbaldehyde
CID 3611207
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 4640983
2-(2,3-difluorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 87405106
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde (CID 3798198) is 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde is CCc1cccc2c(C=O)c(-c3cc(F)ccc3OC)[nH]c12.
What is the InChIKey of 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is HEAZCWZXIFPGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-3-11-5-4-6-13-15(10-21)18(20-17(11)13)14-9-12(19)7-8-16(14)22-2/h4-10,20H,3H2,1-2H3.
What are the key properties of 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde?
7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 297.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3798198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).