2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde

C20H18FNO3 — CID 87855138

IUPAC2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
SMILESCOc1cc2c(CC=O)c(C)n(C(=O)c3ccc(C)cc3)c2cc1F
InChIInChI=1S/C20H18FNO3/c1-12-4-6-14(7-5-12)20(24)22-13(2)15(8-9-23)16-10-19(25-3)17(21)11-18(16)22/h4-7,9-11H,8H2,1-3H3
InChIKeyZFJDYDMBAJMCAT-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.84
Rot. Bonds4

About 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde

2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde (PubChem CID 87855138) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
PubChem CID87855138
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
SMILESCOc1cc2c(CC=O)c(C)n(C(=O)c3ccc(C)cc3)c2cc1F
InChIInChI=1S/C20H18FNO3/c1-12-4-6-14(7-5-12)20(24)22-13(2)15(8-9-23)16-10-19(25-3)17(21)11-18(16)22/h4-7,9-11H,8H2,1-3H3
InChIKeyZFJDYDMBAJMCAT-UHFFFAOYSA-N
XLogP3.84
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 90827726
2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
CID 118618271
[3-(2,2-dihydroxyethyl)-6-fluoro-5-methoxy-2-methylindol-1-yl]-[4-(1-fluoroethenyl)phenyl]methanone
CID 90928859
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 18453961
2-[1-(3,4-difluorobenzoyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetaldehyde
CID 87855003
2-[1-(4-cyanobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453572
propyl 2-[6-fluoro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 90753955
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)benzoyl]indol-3-yl]acetic acid
CID 18453950
2-[1-(4-bromobenzoyl)-6-fluoro-5-methoxy-2-methylindol-3-yl]-N-propan-2-ylacetamide
CID 69487790
2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]hexanamide
CID 91439556
methyl 2-[6-chloro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91081498
N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide
CID 69487191

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde?
The IUPAC name of 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde (CID 87855138) is 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde.
What is the SMILES notation for 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde?
The canonical SMILES for 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde is COc1cc2c(CC=O)c(C)n(C(=O)c3ccc(C)cc3)c2cc1F.
What is the InChIKey of 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde?
The InChIKey is ZFJDYDMBAJMCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-12-4-6-14(7-5-12)20(24)22-13(2)15(8-9-23)16-10-19(25-3)17(21)11-18(16)22/h4-7,9-11H,8H2,1-3H3.
What are the key properties of 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde?
2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde has a molecular weight of 339.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde is sourced from PubChem (CID 87855138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).