3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole

C16H17NO — CID 22037969

IUPAC3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCOc1ccc(CC2CNc3ccccc32)cc1
InChIInChI=1S/C16H17NO/c1-18-14-8-6-12(7-9-14)10-13-11-17-16-5-3-2-4-15(13)16/h2-9,13,17H,10-11H2,1H3
InChIKeyZNULKXZGJVINCC-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.45
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole

3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole (PubChem CID 22037969) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole
PubChem CID22037969
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole
SMILESCOc1ccc(CC2CNc3ccccc32)cc1
InChIInChI=1S/C16H17NO/c1-18-14-8-6-12(7-9-14)10-13-11-17-16-5-3-2-4-15(13)16/h2-9,13,17H,10-11H2,1H3
InChIKeyZNULKXZGJVINCC-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole (CID 22037969) is 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole is COc1ccc(CC2CNc3ccccc32)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is ZNULKXZGJVINCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-14-8-6-12(7-9-14)10-13-11-17-16-5-3-2-4-15(13)16/h2-9,13,17H,10-11H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole?
3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 22037969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).