5-phenylmethoxy-1H-indole

C15H13NO — CID 14624

IUPAC5-phenylmethoxy-1H-indole
SMILESc1ccc(COc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2
InChIKeyJCQLPDZCNSVBMS-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.75
Rot. Bonds3

About 5-phenylmethoxy-1H-indole

5-phenylmethoxy-1H-indole (PubChem CID 14624) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name5-phenylmethoxy-1H-indole
PubChem CID14624
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name5-phenylmethoxy-1H-indole
SMILESc1ccc(COc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2
InChIKeyJCQLPDZCNSVBMS-UHFFFAOYSA-N
XLogP3.75
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-1H-indole?
The IUPAC name of 5-phenylmethoxy-1H-indole (CID 14624) is 5-phenylmethoxy-1H-indole.
What is the SMILES notation for 5-phenylmethoxy-1H-indole?
The canonical SMILES for 5-phenylmethoxy-1H-indole is c1ccc(COc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-phenylmethoxy-1H-indole?
The InChIKey is JCQLPDZCNSVBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2.
What are the key properties of 5-phenylmethoxy-1H-indole?
5-phenylmethoxy-1H-indole has a molecular weight of 223.27 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-1H-indole is sourced from PubChem (CID 14624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).