3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one

C18H17NO2 — CID 116691996

IUPAC3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
SMILESCOc1cccc2c1ccn2CCC(=O)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-21-18-9-5-8-16-15(18)10-12-19(16)13-11-17(20)14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3
InChIKeyNFXYOXANRQEMGA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.92
Rot. Bonds5

About 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one

3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one (PubChem CID 116691996) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
PubChem CID116691996
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
SMILESCOc1cccc2c1ccn2CCC(=O)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-21-18-9-5-8-16-15(18)10-12-19(16)13-11-17(20)14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3
InChIKeyNFXYOXANRQEMGA-UHFFFAOYSA-N
XLogP3.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one (CID 116691996) is 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one is COc1cccc2c1ccn2CCC(=O)c1ccccc1.
What is the InChIKey of 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one?
The InChIKey is NFXYOXANRQEMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-21-18-9-5-8-16-15(18)10-12-19(16)13-11-17(20)14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3.
What are the key properties of 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one?
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one has a molecular weight of 279.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 116691996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).