1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole

C19H18ClNO2 — CID 122177768

IUPAC1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole
SMILESClc1ccc(OCCCOc2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C19H18ClNO2/c20-16-4-8-18(9-5-16)22-14-3-15-23-19-10-6-17(7-11-19)21-12-1-2-13-21/h1-2,4-13H,3,14-15H2
InChIKeyLPCWSEGLIWWGRI-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.98
Rot. Bonds7

About 1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole

1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole (PubChem CID 122177768) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole.

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole
PubChem CID122177768
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole
SMILESClc1ccc(OCCCOc2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C19H18ClNO2/c20-16-4-8-18(9-5-16)22-14-3-15-23-19-10-6-17(7-11-19)21-12-1-2-13-21/h1-2,4-13H,3,14-15H2
InChIKeyLPCWSEGLIWWGRI-UHFFFAOYSA-N
XLogP4.98
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.98
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-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole?
The IUPAC name of 1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole (CID 122177768) is 1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole.
What is the SMILES notation for 1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole?
The canonical SMILES for 1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole is Clc1ccc(OCCCOc2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of 1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole?
The InChIKey is LPCWSEGLIWWGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-16-4-8-18(9-5-16)22-14-3-15-23-19-10-6-17(7-11-19)21-12-1-2-13-21/h1-2,4-13H,3,14-15H2.
What are the key properties of 1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole?
1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole has a molecular weight of 327.81 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenoxy)propoxy]phenyl]pyrrole is sourced from PubChem (CID 122177768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).