2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone

C18H19NO2 — CID 116611885

IUPAC2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C18H19NO2/c1-2-11-21-17-6-4-3-5-15(17)18(20)14-8-7-13-9-10-19-16(13)12-14/h3-8,12,19H,2,9-11H2,1H3
InChIKeyDHBLHFSLBRBPMN-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.67
Rot. Bonds5

About 2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone

2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone (PubChem CID 116611885) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone
PubChem CID116611885
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)c1ccc2c(c1)NCC2
InChIInChI=1S/C18H19NO2/c1-2-11-21-17-6-4-3-5-15(17)18(20)14-8-7-13-9-10-19-16(13)12-14/h3-8,12,19H,2,9-11H2,1H3
InChIKeyDHBLHFSLBRBPMN-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
CID 116611963
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(3-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800817
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
(2-propoxyphenyl)-pyridin-4-ylmethanone
CID 113438187
2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone
CID 116611875
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
(3-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762
5-(2-propoxyphenyl)-2,3-dihydro-1H-indole
CID 104660777
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone (CID 116611885) is 2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)c1ccc2c(c1)NCC2.
What is the InChIKey of 2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone?
The InChIKey is DHBLHFSLBRBPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-11-21-17-6-4-3-5-15(17)18(20)14-8-7-13-9-10-19-16(13)12-14/h3-8,12,19H,2,9-11H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone?
2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone has a molecular weight of 281.35 g/mol, XLogP of 3.67, 5 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-6-yl-(2-propoxyphenyl)methanone is sourced from PubChem (CID 116611885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).