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

C19H18BrNO2 — CID 122177772

IUPAC1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole
SMILESBrc1cccc(OCCCOc2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C19H18BrNO2/c20-16-5-3-6-19(15-16)23-14-4-13-22-18-9-7-17(8-10-18)21-11-1-2-12-21/h1-3,5-12,15H,4,13-14H2
InChIKeyFYIBFLYNRMAESJ-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.09
Rot. Bonds7

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

1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole (PubChem CID 122177772) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole.

Molecular Properties

Compound Name1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole
PubChem CID122177772
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole
SMILESBrc1cccc(OCCCOc2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C19H18BrNO2/c20-16-5-3-6-19(15-16)23-14-4-13-22-18-9-7-17(8-10-18)21-11-1-2-12-21/h1-3,5-12,15H,4,13-14H2
InChIKeyFYIBFLYNRMAESJ-UHFFFAOYSA-N
XLogP5.09
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.09
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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Related Compounds

3-[2-(4-pyrrol-1-ylphenoxy)ethoxy]aniline
CID 122177721
4-[3-(4-pyrrol-1-ylphenoxy)propoxy]benzonitrile
CID 122177778
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
N-[2-(3-bromophenoxy)ethyl]pyrrol-1-amine
CID 79101261
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole?
The IUPAC name of 1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole (CID 122177772) is 1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole.
What is the SMILES notation for 1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole?
The canonical SMILES for 1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole is Brc1cccc(OCCCOc2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of 1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole?
The InChIKey is FYIBFLYNRMAESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c20-16-5-3-6-19(15-16)23-14-4-13-22-18-9-7-17(8-10-18)21-11-1-2-12-21/h1-3,5-12,15H,4,13-14H2.
What are the key properties of 1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole?
1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole has a molecular weight of 372.26 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-bromophenoxy)propoxy]phenyl]pyrrole is sourced from PubChem (CID 122177772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).