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

C14H12BrNO2 — CID 176777327

IUPAC[5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol
SMILESOCc1coc2c(CC3C=CN=C3)cc(Br)cc12
InChIInChI=1S/C14H12BrNO2/c15-12-4-10(3-9-1-2-16-6-9)14-13(5-12)11(7-17)8-18-14/h1-2,4-6,8-9,17H,3,7H2
InChIKeyRTYTYLMVECEQKA-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.44
Rot. Bonds3

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

[5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol (PubChem CID 176777327) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is [5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol.

Molecular Properties

Compound Name[5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol
PubChem CID176777327
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name[5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol
SMILESOCc1coc2c(CC3C=CN=C3)cc(Br)cc12
InChIInChI=1S/C14H12BrNO2/c15-12-4-10(3-9-1-2-16-6-9)14-13(5-12)11(7-17)8-18-14/h1-2,4-6,8-9,17H,3,7H2
InChIKeyRTYTYLMVECEQKA-UHFFFAOYSA-N
XLogP3.44
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-yl]methanol
CID 156725302
(5-bromo-1-benzofuran-3-yl)methanol;ethane
CID 156725313
(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol
CID 90384337
CID 156725385
CID 156725385
2-(7-bromo-1-benzofuran-3-yl)ethanol
CID 83526831
[6-bromo-4-(hydroxymethyl)indazol-1-yl] thiohypofluorite
CID 169191360
[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869592
(5-bromo-2-methoxy-3-methylphenyl)methanol
CID 58993702
1-(6-bromo-1-benzofuran-3-yl)propan-2-one
CID 82623219
[3,5-dibromo-2-(bromomethyl)phenyl]methanol
CID 22121392
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
CID 90145751
CID 90145751

Frequently Asked Questions

What is the IUPAC name of [5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol?
The IUPAC name of [5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol (CID 176777327) is [5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol.
What is the SMILES notation for [5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol?
The canonical SMILES for [5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol is OCc1coc2c(CC3C=CN=C3)cc(Br)cc12.
What is the InChIKey of [5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol?
The InChIKey is RTYTYLMVECEQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-12-4-10(3-9-1-2-16-6-9)14-13(5-12)11(7-17)8-18-14/h1-2,4-6,8-9,17H,3,7H2.
What are the key properties of [5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol?
[5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol has a molecular weight of 306.16 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-7-(3H-pyrrol-3-ylmethyl)-1-benzofuran-3-yl]methanol is sourced from PubChem (CID 176777327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).