2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole

C17H19NO — CID 5224986

IUPAC2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cccc(C)c3N2)cc1C
InChIInChI=1S/C17H19NO/c1-11-5-4-6-14-10-15(18-17(11)14)13-7-8-16(19-3)12(2)9-13/h4-9,15,18H,10H2,1-3H3
InChIKeyKHZHWTFFARCPAP-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.02
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole

2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole (PubChem CID 5224986) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
PubChem CID5224986
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCOc1ccc(C2Cc3cccc(C)c3N2)cc1C
InChIInChI=1S/C17H19NO/c1-11-5-4-6-14-10-15(18-17(11)14)13-7-8-16(19-3)12(2)9-13/h4-9,15,18H,10H2,1-3H3
InChIKeyKHZHWTFFARCPAP-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole (CID 5224986) is 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole is COc1ccc(C2Cc3cccc(C)c3N2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is KHZHWTFFARCPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-5-4-6-14-10-15(18-17(11)14)13-7-8-16(19-3)12(2)9-13/h4-9,15,18H,10H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole?
2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 253.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 5224986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).