(5-methoxy-1H-indol-2-yl)-phenylmethanone

C16H13NO2 — CID 3921152

IUPAC(5-methoxy-1H-indol-2-yl)-phenylmethanone
SMILESCOc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1
InChIInChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
InChIKeyICMIJSRDISNKOC-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.41
Rot. Bonds3

About (5-methoxy-1H-indol-2-yl)-phenylmethanone

(5-methoxy-1H-indol-2-yl)-phenylmethanone (PubChem CID 3921152) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-phenylmethanone
PubChem CID3921152
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name(5-methoxy-1H-indol-2-yl)-phenylmethanone
SMILESCOc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1
InChIInChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
InChIKeyICMIJSRDISNKOC-UHFFFAOYSA-N
XLogP3.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-2-yl)-phenylmethanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-phenylmethanone (CID 3921152) is (5-methoxy-1H-indol-2-yl)-phenylmethanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-phenylmethanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-phenylmethanone is COc1ccc2[nH]c(C(=O)c3ccccc3)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-phenylmethanone?
The InChIKey is ICMIJSRDISNKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)-phenylmethanone?
(5-methoxy-1H-indol-2-yl)-phenylmethanone has a molecular weight of 251.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-2-yl)-phenylmethanone is sourced from PubChem (CID 3921152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).