(6-methoxy-1H-indol-3-yl)-phenylmethanone

C16H13NO2 — CID 11459384

IUPAC(6-methoxy-1H-indol-3-yl)-phenylmethanone
SMILESCOc1ccc2c(C(=O)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C16H13NO2/c1-19-12-7-8-13-14(10-17-15(13)9-12)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
InChIKeyCWKVIAJHSDJCOI-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.41
Rot. Bonds3

About (6-methoxy-1H-indol-3-yl)-phenylmethanone

(6-methoxy-1H-indol-3-yl)-phenylmethanone (PubChem CID 11459384) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is (6-methoxy-1H-indol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-3-yl)-phenylmethanone
PubChem CID11459384
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name(6-methoxy-1H-indol-3-yl)-phenylmethanone
SMILESCOc1ccc2c(C(=O)c3ccccc3)c[nH]c2c1
InChIInChI=1S/C16H13NO2/c1-19-12-7-8-13-14(10-17-15(13)9-12)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
InChIKeyCWKVIAJHSDJCOI-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 (6-methoxy-1H-indol-3-yl)-phenylmethanone?
The IUPAC name of (6-methoxy-1H-indol-3-yl)-phenylmethanone (CID 11459384) is (6-methoxy-1H-indol-3-yl)-phenylmethanone.
What is the SMILES notation for (6-methoxy-1H-indol-3-yl)-phenylmethanone?
The canonical SMILES for (6-methoxy-1H-indol-3-yl)-phenylmethanone is COc1ccc2c(C(=O)c3ccccc3)c[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-3-yl)-phenylmethanone?
The InChIKey is CWKVIAJHSDJCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-12-7-8-13-14(10-17-15(13)9-12)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3.
What are the key properties of (6-methoxy-1H-indol-3-yl)-phenylmethanone?
(6-methoxy-1H-indol-3-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 (6-methoxy-1H-indol-3-yl)-phenylmethanone is sourced from PubChem (CID 11459384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).