2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone

C18H19NO2 — CID 116554090

IUPAC2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C18H19NO2/c1-12(2)21-17-6-4-3-5-15(17)18(20)14-7-8-16-13(11-14)9-10-19-16/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyRTVWSAQNEBWJJF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.67
Rot. Bonds4

About 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone

2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone (PubChem CID 116554090) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
PubChem CID116554090
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C18H19NO2/c1-12(2)21-17-6-4-3-5-15(17)18(20)14-7-8-16-13(11-14)9-10-19-16/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyRTVWSAQNEBWJJF-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116554152
2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone
CID 116611885
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
(2-fluoro-3-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554428
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
CID 105119950
2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
CID 116554224
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60939487
cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 103449936
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone (CID 116554090) is 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccccc1C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is RTVWSAQNEBWJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12(2)21-17-6-4-3-5-15(17)18(20)14-7-8-16-13(11-14)9-10-19-16/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone?
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116554090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).