3-(1H-indol-2-yl)-4-methoxychromen-2-one

C18H13NO3 — CID 177487143

IUPAC3-(1H-indol-2-yl)-4-methoxychromen-2-one
SMILESCOc1c(-c2cc3ccccc3[nH]2)c(=O)oc2ccccc12
InChIInChI=1S/C18H13NO3/c1-21-17-12-7-3-5-9-15(12)22-18(20)16(17)14-10-11-6-2-4-8-13(11)19-14/h2-10,19H,1H3
InChIKeyLYUASCRLFJFFIU-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.95
Rot. Bonds2

About 3-(1H-indol-2-yl)-4-methoxychromen-2-one

3-(1H-indol-2-yl)-4-methoxychromen-2-one (PubChem CID 177487143) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-4-methoxychromen-2-one.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-4-methoxychromen-2-one
PubChem CID177487143
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name3-(1H-indol-2-yl)-4-methoxychromen-2-one
SMILESCOc1c(-c2cc3ccccc3[nH]2)c(=O)oc2ccccc12
InChIInChI=1S/C18H13NO3/c1-21-17-12-7-3-5-9-15(12)22-18(20)16(17)14-10-11-6-2-4-8-13(11)19-14/h2-10,19H,1H3
InChIKeyLYUASCRLFJFFIU-UHFFFAOYSA-N
XLogP3.95
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.95
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 3-(1H-indol-2-yl)-4-methoxychromen-2-one?
The IUPAC name of 3-(1H-indol-2-yl)-4-methoxychromen-2-one (CID 177487143) is 3-(1H-indol-2-yl)-4-methoxychromen-2-one.
What is the SMILES notation for 3-(1H-indol-2-yl)-4-methoxychromen-2-one?
The canonical SMILES for 3-(1H-indol-2-yl)-4-methoxychromen-2-one is COc1c(-c2cc3ccccc3[nH]2)c(=O)oc2ccccc12.
What is the InChIKey of 3-(1H-indol-2-yl)-4-methoxychromen-2-one?
The InChIKey is LYUASCRLFJFFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-21-17-12-7-3-5-9-15(12)22-18(20)16(17)14-10-11-6-2-4-8-13(11)19-14/h2-10,19H,1H3.
What are the key properties of 3-(1H-indol-2-yl)-4-methoxychromen-2-one?
3-(1H-indol-2-yl)-4-methoxychromen-2-one has a molecular weight of 291.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-4-methoxychromen-2-one is sourced from PubChem (CID 177487143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).