2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one

C23H23NO4 — CID 171804076

IUPAC2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one
SMILESCOc1ccc(COCCCc2[nH]c3c(c2C)c(=O)oc2ccccc23)cc1
InChIInChI=1S/C23H23NO4/c1-15-19(7-5-13-27-14-16-9-11-17(26-2)12-10-16)24-22-18-6-3-4-8-20(18)28-23(25)21(15)22/h3-4,6,8-12,24H,5,7,13-14H2,1-2H3
InChIKeyCPDPVVFKWUAOBD-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.74
Rot. Bonds7

About 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one

2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one (PubChem CID 171804076) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one
PubChem CID171804076
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one
SMILESCOc1ccc(COCCCc2[nH]c3c(c2C)c(=O)oc2ccccc23)cc1
InChIInChI=1S/C23H23NO4/c1-15-19(7-5-13-27-14-16-9-11-17(26-2)12-10-16)24-22-18-6-3-4-8-20(18)28-23(25)21(15)22/h3-4,6,8-12,24H,5,7,13-14H2,1-2H3
InChIKeyCPDPVVFKWUAOBD-UHFFFAOYSA-N
XLogP4.74
TPSA64.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one?
The IUPAC name of 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one (CID 171804076) is 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one.
What is the SMILES notation for 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one?
The canonical SMILES for 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one is COc1ccc(COCCCc2[nH]c3c(c2C)c(=O)oc2ccccc23)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one?
The InChIKey is CPDPVVFKWUAOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-19(7-5-13-27-14-16-9-11-17(26-2)12-10-16)24-22-18-6-3-4-8-20(18)28-23(25)21(15)22/h3-4,6,8-12,24H,5,7,13-14H2,1-2H3.
What are the key properties of 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one?
2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one has a molecular weight of 377.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1H-chromeno[4,3-b]pyrrol-4-one is sourced from PubChem (CID 171804076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).