6-chloro-5-phenylmethoxy-1H-indole

C15H12ClNO — CID 58437502

IUPAC6-chloro-5-phenylmethoxy-1H-indole
SMILESClc1cc2[nH]ccc2cc1OCc1ccccc1
InChIInChI=1S/C15H12ClNO/c16-13-9-14-12(6-7-17-14)8-15(13)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2
InChIKeyVJJYXPKMLPETDA-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.40
Rot. Bonds3

About 6-chloro-5-phenylmethoxy-1H-indole

6-chloro-5-phenylmethoxy-1H-indole (PubChem CID 58437502) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name6-chloro-5-phenylmethoxy-1H-indole
PubChem CID58437502
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name6-chloro-5-phenylmethoxy-1H-indole
SMILESClc1cc2[nH]ccc2cc1OCc1ccccc1
InChIInChI=1S/C15H12ClNO/c16-13-9-14-12(6-7-17-14)8-15(13)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2
InChIKeyVJJYXPKMLPETDA-UHFFFAOYSA-N
XLogP4.40
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-phenylmethoxy-1H-indole?
The IUPAC name of 6-chloro-5-phenylmethoxy-1H-indole (CID 58437502) is 6-chloro-5-phenylmethoxy-1H-indole.
What is the SMILES notation for 6-chloro-5-phenylmethoxy-1H-indole?
The canonical SMILES for 6-chloro-5-phenylmethoxy-1H-indole is Clc1cc2[nH]ccc2cc1OCc1ccccc1.
What is the InChIKey of 6-chloro-5-phenylmethoxy-1H-indole?
The InChIKey is VJJYXPKMLPETDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-9-14-12(6-7-17-14)8-15(13)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2.
What are the key properties of 6-chloro-5-phenylmethoxy-1H-indole?
6-chloro-5-phenylmethoxy-1H-indole has a molecular weight of 257.72 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-phenylmethoxy-1H-indole is sourced from PubChem (CID 58437502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).