1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone

C17H17NO2 — CID 79600921

IUPAC1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2c3ccccc3CC2C)cc1O
InChIInChI=1S/C17H17NO2/c1-11-9-13-5-3-4-6-16(13)18(11)14-7-8-15(12(2)19)17(20)10-14/h3-8,10-11,20H,9H2,1-2H3
InChIKeyVACOYXLXPREQEK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.68
Rot. Bonds2

About 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone

1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone (PubChem CID 79600921) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
PubChem CID79600921
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2c3ccccc3CC2C)cc1O
InChIInChI=1S/C17H17NO2/c1-11-9-13-5-3-4-6-16(13)18(11)14-7-8-15(12(2)19)17(20)10-14/h3-8,10-11,20H,9H2,1-2H3
InChIKeyVACOYXLXPREQEK-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 104500136
1-[2-amino-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanone
CID 104528189
1-[4-(1,3-dihydroisoindol-2-yl)-2-hydroxyphenyl]ethanone
CID 79601015
1-[2-hydroxy-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]ethanone
CID 79590190
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
1-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-3-phenylurea
CID 112989569
4-methoxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 81302118
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
CID 112989553
1-[4-(2,4-dimethylpiperidin-1-yl)-2-hydroxyphenyl]ethanone
CID 79601097
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
5-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyridine-3-carboxamide
CID 109241516
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone (CID 79600921) is 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2c3ccccc3CC2C)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone?
The InChIKey is VACOYXLXPREQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-9-13-5-3-4-6-16(13)18(11)14-7-8-15(12(2)19)17(20)10-14/h3-8,10-11,20H,9H2,1-2H3.
What are the key properties of 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone?
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone is sourced from PubChem (CID 79600921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).