2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one

C19H15NO3 — CID 5274460

IUPAC2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccc4c(ccn4C)c3o2)cc1
InChIInChI=1S/C19H15NO3/c1-20-10-9-14-16(20)8-7-15-17(21)11-18(23-19(14)15)12-3-5-13(22-2)6-4-12/h3-11H,1-2H3
InChIKeySDPBRXQNIPJTSW-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one

2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one (PubChem CID 5274460) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one
PubChem CID5274460
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccc4c(ccn4C)c3o2)cc1
InChIInChI=1S/C19H15NO3/c1-20-10-9-14-16(20)8-7-15-17(21)11-18(23-19(14)15)12-3-5-13(22-2)6-4-12/h3-11H,1-2H3
InChIKeySDPBRXQNIPJTSW-UHFFFAOYSA-N
XLogP3.96
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one (CID 5274460) is 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one is COc1ccc(-c2cc(=O)c3ccc4c(ccn4C)c3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one?
The InChIKey is SDPBRXQNIPJTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-20-10-9-14-16(20)8-7-15-17(21)11-18(23-19(14)15)12-3-5-13(22-2)6-4-12/h3-11H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one?
2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one has a molecular weight of 305.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-methylpyrano[2,3-e]indol-4-one is sourced from PubChem (CID 5274460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).