1-[(4-bromophenyl)methyl]-3-methoxypyrrole

C12H12BrNO — CID 175093862

IUPAC1-[(4-bromophenyl)methyl]-3-methoxypyrrole
SMILESCOc1ccn(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C12H12BrNO/c1-15-12-6-7-14(9-12)8-10-2-4-11(13)5-3-10/h2-7,9H,8H2,1H3
InChIKeyUHFAMPCSCGWLEG-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.31
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-methoxypyrrole

1-[(4-bromophenyl)methyl]-3-methoxypyrrole (PubChem CID 175093862) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-methoxypyrrole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-methoxypyrrole
PubChem CID175093862
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-[(4-bromophenyl)methyl]-3-methoxypyrrole
SMILESCOc1ccn(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C12H12BrNO/c1-15-12-6-7-14(9-12)8-10-2-4-11(13)5-3-10/h2-7,9H,8H2,1H3
InChIKeyUHFAMPCSCGWLEG-UHFFFAOYSA-N
XLogP3.31
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097108
1-benzyl-3-(4-bromophenyl)pyrrole
CID 175317856
4-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-2,4-dioxobutanoic acid
CID 18363418
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
2-[(4-bromophenyl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117135150
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311
N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104817
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-1-cyclopropyl-N-methylmethanamine
CID 79104017
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
1-[1-[(3-bromo-4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79098854
[1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 66408417

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-methoxypyrrole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-methoxypyrrole (CID 175093862) is 1-[(4-bromophenyl)methyl]-3-methoxypyrrole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-methoxypyrrole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-methoxypyrrole is COc1ccn(Cc2ccc(Br)cc2)c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-methoxypyrrole?
The InChIKey is UHFAMPCSCGWLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-15-12-6-7-14(9-12)8-10-2-4-11(13)5-3-10/h2-7,9H,8H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-methoxypyrrole?
1-[(4-bromophenyl)methyl]-3-methoxypyrrole has a molecular weight of 266.14 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-methoxypyrrole is sourced from PubChem (CID 175093862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).