[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate

C17H15NO3 — CID 578309

IUPAC[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H15NO3/c1-12(19)21-15-8-6-14(7-9-15)17(20)18-11-10-13-4-2-3-5-16(13)18/h2-9H,10-11H2,1H3
InChIKeyDHUCMXPMJJPLIN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.81
Rot. Bonds2

About [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate

[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate (PubChem CID 578309) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
PubChem CID578309
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H15NO3/c1-12(19)21-15-8-6-14(7-9-15)17(20)18-11-10-13-4-2-3-5-16(13)18/h2-9H,10-11H2,1H3
InChIKeyDHUCMXPMJJPLIN-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
CID 52527565
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 141158209

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate?
The IUPAC name of [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate (CID 578309) is [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate.
What is the SMILES notation for [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate?
The canonical SMILES for [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate is CC(=O)Oc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate?
The InChIKey is DHUCMXPMJJPLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12(19)21-15-8-6-14(7-9-15)17(20)18-11-10-13-4-2-3-5-16(13)18/h2-9H,10-11H2,1H3.
What are the key properties of [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate?
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate has a molecular weight of 281.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate is sourced from PubChem (CID 578309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).