3-(7-methyl-1H-indol-3-yl)chromen-4-one

C18H13NO2 — CID 56703327

IUPAC3-(7-methyl-1H-indol-3-yl)chromen-4-one
SMILESCc1cccc2c(-c3coc4ccccc4c3=O)c[nH]c12
InChIInChI=1S/C18H13NO2/c1-11-5-4-7-12-14(9-19-17(11)12)15-10-21-16-8-3-2-6-13(16)18(15)20/h2-10,19H,1H3
InChIKeyUDSPVMDLHINKEU-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.25
Rot. Bonds1

About 3-(7-methyl-1H-indol-3-yl)chromen-4-one

3-(7-methyl-1H-indol-3-yl)chromen-4-one (PubChem CID 56703327) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(7-methyl-1H-indol-3-yl)chromen-4-one.

Molecular Properties

Compound Name3-(7-methyl-1H-indol-3-yl)chromen-4-one
PubChem CID56703327
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name3-(7-methyl-1H-indol-3-yl)chromen-4-one
SMILESCc1cccc2c(-c3coc4ccccc4c3=O)c[nH]c12
InChIInChI=1S/C18H13NO2/c1-11-5-4-7-12-14(9-19-17(11)12)15-10-21-16-8-3-2-6-13(16)18(15)20/h2-10,19H,1H3
InChIKeyUDSPVMDLHINKEU-UHFFFAOYSA-N
XLogP4.25
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-1H-indol-3-yl)chromen-4-one?
The IUPAC name of 3-(7-methyl-1H-indol-3-yl)chromen-4-one (CID 56703327) is 3-(7-methyl-1H-indol-3-yl)chromen-4-one.
What is the SMILES notation for 3-(7-methyl-1H-indol-3-yl)chromen-4-one?
The canonical SMILES for 3-(7-methyl-1H-indol-3-yl)chromen-4-one is Cc1cccc2c(-c3coc4ccccc4c3=O)c[nH]c12.
What is the InChIKey of 3-(7-methyl-1H-indol-3-yl)chromen-4-one?
The InChIKey is UDSPVMDLHINKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-11-5-4-7-12-14(9-19-17(11)12)15-10-21-16-8-3-2-6-13(16)18(15)20/h2-10,19H,1H3.
What are the key properties of 3-(7-methyl-1H-indol-3-yl)chromen-4-one?
3-(7-methyl-1H-indol-3-yl)chromen-4-one has a molecular weight of 275.31 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-1H-indol-3-yl)chromen-4-one is sourced from PubChem (CID 56703327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).