1-(3-methoxypropyl)-3-phenoxypyrrole

C14H17NO2 — CID 141222094

IUPAC1-(3-methoxypropyl)-3-phenoxypyrrole
SMILESCOCCCn1ccc(Oc2ccccc2)c1
InChIInChI=1S/C14H17NO2/c1-16-11-5-9-15-10-8-14(12-15)17-13-6-3-2-4-7-13/h2-4,6-8,10,12H,5,9,11H2,1H3
InChIKeyYOYPAOVDTMNBIL-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.32
Rot. Bonds6

About 1-(3-methoxypropyl)-3-phenoxypyrrole

1-(3-methoxypropyl)-3-phenoxypyrrole (PubChem CID 141222094) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-phenoxypyrrole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-phenoxypyrrole
PubChem CID141222094
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(3-methoxypropyl)-3-phenoxypyrrole
SMILESCOCCCn1ccc(Oc2ccccc2)c1
InChIInChI=1S/C14H17NO2/c1-16-11-5-9-15-10-8-14(12-15)17-13-6-3-2-4-7-13/h2-4,6-8,10,12H,5,9,11H2,1H3
InChIKeyYOYPAOVDTMNBIL-UHFFFAOYSA-N
XLogP3.32
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-phenoxypyrrole?
The IUPAC name of 1-(3-methoxypropyl)-3-phenoxypyrrole (CID 141222094) is 1-(3-methoxypropyl)-3-phenoxypyrrole.
What is the SMILES notation for 1-(3-methoxypropyl)-3-phenoxypyrrole?
The canonical SMILES for 1-(3-methoxypropyl)-3-phenoxypyrrole is COCCCn1ccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(3-methoxypropyl)-3-phenoxypyrrole?
The InChIKey is YOYPAOVDTMNBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-16-11-5-9-15-10-8-14(12-15)17-13-6-3-2-4-7-13/h2-4,6-8,10,12H,5,9,11H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-3-phenoxypyrrole?
1-(3-methoxypropyl)-3-phenoxypyrrole has a molecular weight of 231.30 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-phenoxypyrrole is sourced from PubChem (CID 141222094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).