2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone

C19H21NO3 — CID 17112600

IUPAC2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
SMILESCCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H21NO3/c1-2-22-13-14-23-17-9-7-16(8-10-17)19(21)20-12-11-15-5-3-4-6-18(15)20/h3-10H,2,11-14H2,1H3
InChIKeyZRICQLVFCNVOOL-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.30
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone

2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone (PubChem CID 17112600) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
PubChem CID17112600
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
SMILESCCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H21NO3/c1-2-22-13-14-23-17-9-7-16(8-10-17)19(21)20-12-11-15-5-3-4-6-18(15)20/h3-10H,2,11-14H2,1H3
InChIKeyZRICQLVFCNVOOL-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
1-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78781598
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4955762
3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10362298
[4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 15053682
1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
CID 54827531
N-(2,3-dihydroindole-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953015
2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60815593
N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
CID 108890876

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone (CID 17112600) is 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone is CCOCCOc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone?
The InChIKey is ZRICQLVFCNVOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-22-13-14-23-17-9-7-16(8-10-17)19(21)20-12-11-15-5-3-4-6-18(15)20/h3-10H,2,11-14H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone?
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone has a molecular weight of 311.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone is sourced from PubChem (CID 17112600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).