1H-indol-3-yl-(2-methoxyphenyl)methanone

C16H13NO2 — CID 3062670

IUPAC1H-indol-3-yl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13NO2/c1-19-15-9-5-3-7-12(15)16(18)13-10-17-14-8-4-2-6-11(13)14/h2-10,17H,1H3
InChIKeyPTRREJCKNUCEBY-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.41
Rot. Bonds3

About 1H-indol-3-yl-(2-methoxyphenyl)methanone

1H-indol-3-yl-(2-methoxyphenyl)methanone (PubChem CID 3062670) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1H-indol-3-yl-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(2-methoxyphenyl)methanone
PubChem CID3062670
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1H-indol-3-yl-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13NO2/c1-19-15-9-5-3-7-12(15)16(18)13-10-17-14-8-4-2-6-11(13)14/h2-10,17H,1H3
InChIKeyPTRREJCKNUCEBY-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 ≤ 500251.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(2-methoxyphenyl)methanone?
The IUPAC name of 1H-indol-3-yl-(2-methoxyphenyl)methanone (CID 3062670) is 1H-indol-3-yl-(2-methoxyphenyl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(2-methoxyphenyl)methanone?
The canonical SMILES for 1H-indol-3-yl-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-(2-methoxyphenyl)methanone?
The InChIKey is PTRREJCKNUCEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-15-9-5-3-7-12(15)16(18)13-10-17-14-8-4-2-6-11(13)14/h2-10,17H,1H3.
What are the key properties of 1H-indol-3-yl-(2-methoxyphenyl)methanone?
1H-indol-3-yl-(2-methoxyphenyl)methanone has a molecular weight of 251.29 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 1H-indol-3-yl-(2-methoxyphenyl)methanone is sourced from PubChem (CID 3062670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).