5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one

C19H15NO3 — CID 88995863

IUPAC5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one
SMILESCOc1cccc2oc(=O)cc(-c3ccc4[nH]c(C)cc4c3)c12
InChIInChI=1S/C19H15NO3/c1-11-8-13-9-12(6-7-15(13)20-11)14-10-18(21)23-17-5-3-4-16(22-2)19(14)17/h3-10,20H,1-2H3
InChIKeyPVOKHRRPQOVFAY-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.26
Rot. Bonds2

About 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one

5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one (PubChem CID 88995863) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one.

Molecular Properties

Compound Name5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one
PubChem CID88995863
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one
SMILESCOc1cccc2oc(=O)cc(-c3ccc4[nH]c(C)cc4c3)c12
InChIInChI=1S/C19H15NO3/c1-11-8-13-9-12(6-7-15(13)20-11)14-10-18(21)23-17-5-3-4-16(22-2)19(14)17/h3-10,20H,1-2H3
InChIKeyPVOKHRRPQOVFAY-UHFFFAOYSA-N
XLogP4.26
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one?
The IUPAC name of 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one (CID 88995863) is 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one.
What is the SMILES notation for 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one?
The canonical SMILES for 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one is COc1cccc2oc(=O)cc(-c3ccc4[nH]c(C)cc4c3)c12.
What is the InChIKey of 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one?
The InChIKey is PVOKHRRPQOVFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-11-8-13-9-12(6-7-15(13)20-11)14-10-18(21)23-17-5-3-4-16(22-2)19(14)17/h3-10,20H,1-2H3.
What are the key properties of 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one?
5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one has a molecular weight of 305.33 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methyl-1H-indol-5-yl)chromen-2-one is sourced from PubChem (CID 88995863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).