1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol

C15H18BrNO2 — CID 79105735

IUPAC1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2cc(Br)ccc2OC)c1
InChIInChI=1S/C15H18BrNO2/c1-3-14(18)11-6-7-17(9-11)10-12-8-13(16)4-5-15(12)19-2/h4-9,14,18H,3,10H2,1-2H3
InChIKeyKWGYBYDRWGDNQU-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.75
Rot. Bonds5

About 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol

1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 79105735) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID79105735
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCCC(O)c1ccn(Cc2cc(Br)ccc2OC)c1
InChIInChI=1S/C15H18BrNO2/c1-3-14(18)11-6-7-17(9-11)10-12-8-13(16)4-5-15(12)19-2/h4-9,14,18H,3,10H2,1-2H3
InChIKeyKWGYBYDRWGDNQU-UHFFFAOYSA-N
XLogP3.75
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanone
CID 79106520
N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109629
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110538
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
2-[(5-bromo-2-methoxyphenyl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208005
3,5-dibromo-1-[(5-bromo-2-methoxyphenyl)methyl]pyrazole
CID 114692719
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
[1-[(5-bromo-2-methoxyphenyl)methyl]indol-3-yl]methanol
CID 66400336
1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105296

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol (CID 79105735) is 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol is CCC(O)c1ccn(Cc2cc(Br)ccc2OC)c1.
What is the InChIKey of 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is KWGYBYDRWGDNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-3-14(18)11-6-7-17(9-11)10-12-8-13(16)4-5-15(12)19-2/h4-9,14,18H,3,10H2,1-2H3.
What are the key properties of 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol?
1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 324.22 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79105735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).