ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone

C21H25NO2 — CID 142926296

IUPACethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone
SMILESCC.COc1ccc2c(c1)c(C)c(C)n2C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO2.C2H6/c1-12-5-7-15(8-6-12)19(21)20-14(3)13(2)17-11-16(22-4)9-10-18(17)20;1-2/h5-11H,1-4H3;1-2H3
InChIKeyUPJRGYXTSHPGHW-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.29
Rot. Bonds2

About ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone

ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone (PubChem CID 142926296) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Nameethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone
PubChem CID142926296
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Nameethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone
SMILESCC.COc1ccc2c(c1)c(C)c(C)n2C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO2.C2H6/c1-12-5-7-15(8-6-12)19(21)20-14(3)13(2)17-11-16(22-4)9-10-18(17)20;1-2/h5-11H,1-4H3;1-2H3
InChIKeyUPJRGYXTSHPGHW-UHFFFAOYSA-N
XLogP5.29
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
CID 118618271
(4-methoxyphenyl)-(3-methylcarbazol-9-yl)methanone
CID 71534571
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
2-[1-[4-(chloromethyl)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 71718049
potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
CID 173442022
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
benzyl 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carboxylate
CID 154136063
4-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]butanoic acid
CID 11235754
ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate
CID 18995222
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994

Frequently Asked Questions

What is the IUPAC name of ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone (CID 142926296) is ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone is CC.COc1ccc2c(c1)c(C)c(C)n2C(=O)c1ccc(C)cc1.
What is the InChIKey of ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone?
The InChIKey is UPJRGYXTSHPGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2.C2H6/c1-12-5-7-15(8-6-12)19(21)20-14(3)13(2)17-11-16(22-4)9-10-18(17)20;1-2/h5-11H,1-4H3;1-2H3.
What are the key properties of ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone?
ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone has a molecular weight of 323.44 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-methoxy-2,3-dimethylindol-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 142926296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).