(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone

C19H19NO — CID 43339292

IUPAC(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3cccc(C)c3C)c[nH]c12
InChIInChI=1S/C19H19NO/c1-4-14-8-6-10-16-17(11-20-18(14)16)19(21)15-9-5-7-12(2)13(15)3/h5-11,20H,4H2,1-3H3
InChIKeyLCUWTHYKDWERTK-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.58
Rot. Bonds3

About (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone

(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone (PubChem CID 43339292) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
PubChem CID43339292
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
SMILESCCc1cccc2c(C(=O)c3cccc(C)c3C)c[nH]c12
InChIInChI=1S/C19H19NO/c1-4-14-8-6-10-16-17(11-20-18(14)16)19(21)15-9-5-7-12(2)13(15)3/h5-11,20H,4H2,1-3H3
InChIKeyLCUWTHYKDWERTK-UHFFFAOYSA-N
XLogP4.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone (CID 43339292) is (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone is CCc1cccc2c(C(=O)c3cccc(C)c3C)c[nH]c12.
What is the InChIKey of (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone?
The InChIKey is LCUWTHYKDWERTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-4-14-8-6-10-16-17(11-20-18(14)16)19(21)15-9-5-7-12(2)13(15)3/h5-11,20H,4H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone?
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 43339292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).