1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone

C18H19NO2 — CID 110714096

IUPAC1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C18H19NO2/c1-13-3-5-14(6-4-13)11-18(20)19-10-9-15-12-16(21-2)7-8-17(15)19/h3-8,12H,9-11H2,1-2H3
InChIKeyXBLMAFCBXLCVLR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.14
Rot. Bonds3

About 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone

1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone (PubChem CID 110714096) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
PubChem CID110714096
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C18H19NO2/c1-13-3-5-14(6-4-13)11-18(20)19-10-9-15-12-16(21-2)7-8-17(15)19/h3-8,12H,9-11H2,1-2H3
InChIKeyXBLMAFCBXLCVLR-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 120668047
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
4-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)pentan-1-one
CID 120561708
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
CID 84556507
2-(3-methoxyphenyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 27899486
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(7-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 146082584
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone (CID 110714096) is 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone is COc1ccc2c(c1)CCN2C(=O)Cc1ccc(C)cc1.
What is the InChIKey of 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is XBLMAFCBXLCVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-3-5-14(6-4-13)11-18(20)19-10-9-15-12-16(21-2)7-8-17(15)19/h3-8,12H,9-11H2,1-2H3.
What are the key properties of 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 110714096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).