[5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol

C14H16BrNO2 — CID 156725302

IUPAC[5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol
SMILESOCc1coc2c(CN3CCCC3)cc(Br)cc12
InChIInChI=1S/C14H16BrNO2/c15-12-5-10(7-16-3-1-2-4-16)14-13(6-12)11(8-17)9-18-14/h5-6,9,17H,1-4,7-8H2
InChIKeyODYIGRPJMRCMPO-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.28
Rot. Bonds3

About [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol

[5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol (PubChem CID 156725302) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol.

Molecular Properties

Compound Name[5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol
PubChem CID156725302
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name[5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol
SMILESOCc1coc2c(CN3CCCC3)cc(Br)cc12
InChIInChI=1S/C14H16BrNO2/c15-12-5-10(7-16-3-1-2-4-16)14-13(6-12)11(8-17)9-18-14/h5-6,9,17H,1-4,7-8H2
InChIKeyODYIGRPJMRCMPO-UHFFFAOYSA-N
XLogP3.28
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol
CID 176777327
(5-bromo-1-benzofuran-3-yl)methanol;ethane
CID 156725313
1-[(7-fluoro-1-benzofuran-3-yl)methyl]azepane
CID 117180993
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
2-[2-[[5-bromo-7-[(3-fluoropyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methoxy]phenyl]acetic acid
CID 175230302
6-hydroxy-3-(piperidin-1-ylmethyl)chromen-4-one
CID 11978440
1-[(5-bromo-2-chlorophenyl)methyl]azetidine
CID 126992141
1-[(5-bromofuran-3-yl)methyl]pyrrolidine
CID 105487442
3-(piperidin-1-ylmethyl)-1-benzofuran-5-carboxylic acid
CID 117174366
1-[(6-bromo-1-benzothiophen-3-yl)methyl]pyrrolidine
CID 117178039
3-(morpholin-4-ylmethyl)-1-benzofuran-7-ol
CID 84696625
4,5-dibromo-2-(piperidin-1-ylmethyl)phenol
CID 175396121

Frequently Asked Questions

What is the IUPAC name of [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol?
The IUPAC name of [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol (CID 156725302) is [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol.
What is the SMILES notation for [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol?
The canonical SMILES for [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol is OCc1coc2c(CN3CCCC3)cc(Br)cc12.
What is the InChIKey of [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol?
The InChIKey is ODYIGRPJMRCMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c15-12-5-10(7-16-3-1-2-4-16)14-13(6-12)11(8-17)9-18-14/h5-6,9,17H,1-4,7-8H2.
What are the key properties of [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol?
[5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol has a molecular weight of 310.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol is sourced from PubChem (CID 156725302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).