1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone

C20H19NO3 — CID 744719

IUPAC1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C(C)=O)cc1
InChIInChI=1S/C20H19NO3/c1-12-20(14(3)23)18-11-17(24-4)9-10-19(18)21(12)16-7-5-15(6-8-16)13(2)22/h5-11H,1-4H3
InChIKeyVMOTWBQYNBAVNK-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.35
Rot. Bonds4

About 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone

1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone (PubChem CID 744719) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone
PubChem CID744719
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C(C)=O)cc1
InChIInChI=1S/C20H19NO3/c1-12-20(14(3)23)18-11-17(24-4)9-10-19(18)21(12)16-7-5-15(6-8-16)13(2)22/h5-11H,1-4H3
InChIKeyVMOTWBQYNBAVNK-UHFFFAOYSA-N
XLogP4.35
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Indomethacin
CID 3715
(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 250
CID 44397540
Pravadoline
CID 56463
Oxametacin
CID 33675
Jwh 302
CID 11493740
Ethyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
CID 27861
Methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
CID 15339
2-Methyl-1-pentyl-3-(4-methoxynaphthoyl)indole
CID 45272116
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Indomethacin farnesil
CID 5282183
SR-18
CID 53394099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone (CID 744719) is 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone is COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone?
The InChIKey is VMOTWBQYNBAVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-12-20(14(3)23)18-11-17(24-4)9-10-19(18)21(12)16-7-5-15(6-8-16)13(2)22/h5-11H,1-4H3.
What are the key properties of 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone?
1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone has a molecular weight of 321.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-acetyl-5-methoxy-2-methylindol-1-yl)phenyl]ethanone is sourced from PubChem (CID 744719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).