5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole

C16H17NO — CID 115103966

IUPAC5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole
SMILESCc1ccccc1OCc1ccc2c(c1)CCN2
InChIInChI=1S/C16H17NO/c1-12-4-2-3-5-16(12)18-11-13-6-7-15-14(10-13)8-9-17-15/h2-7,10,17H,8-9,11H2,1H3
InChIKeyIYYMTHPOMQWHAV-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds3

About 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole

5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole (PubChem CID 115103966) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole
PubChem CID115103966
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole
SMILESCc1ccccc1OCc1ccc2c(c1)CCN2
InChIInChI=1S/C16H17NO/c1-12-4-2-3-5-16(12)18-11-13-6-7-15-14(10-13)8-9-17-15/h2-7,10,17H,8-9,11H2,1H3
InChIKeyIYYMTHPOMQWHAV-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole (CID 115103966) is 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole is Cc1ccccc1OCc1ccc2c(c1)CCN2.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole?
The InChIKey is IYYMTHPOMQWHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-4-2-3-5-16(12)18-11-13-6-7-15-14(10-13)8-9-17-15/h2-7,10,17H,8-9,11H2,1H3.
What are the key properties of 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole?
5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115103966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).