1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone

C18H17NO3 — CID 122143793

IUPAC1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccccc1C(C)=O
InChIInChI=1S/C18H17NO3/c1-12(20)15-5-3-4-6-16(15)18(21)19-10-9-13-11-14(22-2)7-8-17(13)19/h3-8,11H,9-10H2,1-2H3
InChIKeyJLNKVBHEQGMWKX-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.10
Rot. Bonds3

About 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone

1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone (PubChem CID 122143793) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
PubChem CID122143793
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccccc1C(C)=O
InChIInChI=1S/C18H17NO3/c1-12(20)15-5-3-4-6-16(15)18(21)19-10-9-13-11-14(22-2)7-8-17(13)19/h3-8,11H,9-10H2,1-2H3
InChIKeyJLNKVBHEQGMWKX-UHFFFAOYSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
(4-methoxy-2-methylphenyl)-(5-prop-1-enyl-2,3-dihydroindol-1-yl)methanone
CID 59979403
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone
CID 47845275
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone?
The IUPAC name of 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone (CID 122143793) is 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone is COc1ccc2c(c1)CCN2C(=O)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone?
The InChIKey is JLNKVBHEQGMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12(20)15-5-3-4-6-16(15)18(21)19-10-9-13-11-14(22-2)7-8-17(13)19/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone?
1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone has a molecular weight of 295.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone is sourced from PubChem (CID 122143793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).