1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone

C17H17NO2 — CID 132532210

IUPAC1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC1c1cc(C)ccc1O
InChIInChI=1S/C17H17NO2/c1-11-7-8-17(20)14(9-11)16-10-13-5-3-4-6-15(13)18(16)12(2)19/h3-9,16,20H,10H2,1-2H3
InChIKeyPONWBWKINSECJE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.35
Rot. Bonds1

About 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone

1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 132532210) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID132532210
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2CC1c1cc(C)ccc1O
InChIInChI=1S/C17H17NO2/c1-11-7-8-17(20)14(9-11)16-10-13-5-3-4-6-15(13)18(16)12(2)19/h3-9,16,20H,10H2,1-2H3
InChIKeyPONWBWKINSECJE-UHFFFAOYSA-N
XLogP3.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
1-[2-[2,3-bis(1H-indol-2-yl)phenyl]-2,3-dihydroindol-1-yl]ethanone
CID 141051025
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
1-[(2S,3R)-2-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325717
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100527033
1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325722
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2110241
1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone
CID 58720132
(3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
CID 94815017

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone (CID 132532210) is 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccccc2CC1c1cc(C)ccc1O.
What is the InChIKey of 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is PONWBWKINSECJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-7-8-17(20)14(9-11)16-10-13-5-3-4-6-15(13)18(16)12(2)19/h3-9,16,20H,10H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone?
1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 132532210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).