1,2-dimethyl-5-phenylmethoxyindole

C17H17NO — CID 975124

IUPAC1,2-dimethyl-5-phenylmethoxyindole
SMILESCc1cc2cc(OCc3ccccc3)ccc2n1C
InChIInChI=1S/C17H17NO/c1-13-10-15-11-16(8-9-17(15)18(13)2)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyMTZLTVBNJSUIAE-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.07
Rot. Bonds3

About 1,2-dimethyl-5-phenylmethoxyindole

1,2-dimethyl-5-phenylmethoxyindole (PubChem CID 975124) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,2-dimethyl-5-phenylmethoxyindole.

Molecular Properties

Compound Name1,2-dimethyl-5-phenylmethoxyindole
PubChem CID975124
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1,2-dimethyl-5-phenylmethoxyindole
SMILESCc1cc2cc(OCc3ccccc3)ccc2n1C
InChIInChI=1S/C17H17NO/c1-13-10-15-11-16(8-9-17(15)18(13)2)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyMTZLTVBNJSUIAE-UHFFFAOYSA-N
XLogP4.07
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-phenylmethoxyindole?
The IUPAC name of 1,2-dimethyl-5-phenylmethoxyindole (CID 975124) is 1,2-dimethyl-5-phenylmethoxyindole.
What is the SMILES notation for 1,2-dimethyl-5-phenylmethoxyindole?
The canonical SMILES for 1,2-dimethyl-5-phenylmethoxyindole is Cc1cc2cc(OCc3ccccc3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-5-phenylmethoxyindole?
The InChIKey is MTZLTVBNJSUIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-10-15-11-16(8-9-17(15)18(13)2)19-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 1,2-dimethyl-5-phenylmethoxyindole?
1,2-dimethyl-5-phenylmethoxyindole has a molecular weight of 251.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-phenylmethoxyindole is sourced from PubChem (CID 975124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).