2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone

C18H19NO2 — CID 103434951

IUPAC2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)c2ccc3c(c2)NCC3)ccc(C)c1C
InChIInChI=1S/C18H19NO2/c1-11-4-7-15(18(21-3)12(11)2)17(20)14-6-5-13-8-9-19-16(13)10-14/h4-7,10,19H,8-9H2,1-3H3
InChIKeyKYQJANLVBYINPD-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.51
Rot. Bonds3

About 2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone

2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone (PubChem CID 103434951) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone
PubChem CID103434951
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)c2ccc3c(c2)NCC3)ccc(C)c1C
InChIInChI=1S/C18H19NO2/c1-11-4-7-15(18(21-3)12(11)2)17(20)14-6-5-13-8-9-19-16(13)10-14/h4-7,10,19H,8-9H2,1-3H3
InChIKeyKYQJANLVBYINPD-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-6-yl-(2,4,5-trimethylphenyl)methanone
CID 116611875
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434759
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
[3-(dimethylamino)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434965
2,3-dihydro-1H-indol-6-yl-(2-propoxyphenyl)methanone
CID 116611885
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865
2,3-dihydro-1H-indol-6-yl-(4-propoxyphenyl)methanone
CID 116611963
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
5-methyl-2,3-dihydro-1H-indole-6-carboxylic acid
CID 117110479
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 104761349
1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
CID 116611981

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone (CID 103434951) is 2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone is COc1c(C(=O)c2ccc3c(c2)NCC3)ccc(C)c1C.
What is the InChIKey of 2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone?
The InChIKey is KYQJANLVBYINPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11-4-7-15(18(21-3)12(11)2)17(20)14-6-5-13-8-9-19-16(13)10-14/h4-7,10,19H,8-9H2,1-3H3.
What are the key properties of 2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone?
2,3-dihydro-1H-indol-6-yl-(2-methoxy-3,4-dimethylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.51, 3 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-methoxy-3,4-dimethylphenyl)methanone is sourced from PubChem (CID 103434951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).