(Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol

C13H13BrO2 — CID 103971021

IUPAC(Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol
SMILESC/C(=C/C(C)O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C13H13BrO2/c1-8(5-9(2)15)13-7-10-6-11(14)3-4-12(10)16-13/h3-7,9,15H,1-2H3/b8-5-
InChIKeyCMYNADIXPMUXBG-YVMONPNESA-N
MW281.15 g/mol
LogP3.98
Rot. Bonds2

About (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol

(Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol (PubChem CID 103971021) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol
PubChem CID103971021
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name(Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol
SMILESC/C(=C/C(C)O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C13H13BrO2/c1-8(5-9(2)15)13-7-10-6-11(14)3-4-12(10)16-13/h3-7,9,15H,1-2H3/b8-5-
InChIKeyCMYNADIXPMUXBG-YVMONPNESA-N
XLogP3.98
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(1-benzofuran-2-yl)pent-3-en-2-ol
CID 103971192
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
CID 130713073
[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl] acetate
CID 11358037
1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone
CID 71301977
5-bromo-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 110279904

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol?
The IUPAC name of (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol (CID 103971021) is (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol.
What is the SMILES notation for (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol?
The canonical SMILES for (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol is C/C(=C/C(C)O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol?
The InChIKey is CMYNADIXPMUXBG-YVMONPNESA-N. The full InChI is InChI=1S/C13H13BrO2/c1-8(5-9(2)15)13-7-10-6-11(14)3-4-12(10)16-13/h3-7,9,15H,1-2H3/b8-5-.
What are the key properties of (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol?
(Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol has a molecular weight of 281.15 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-bromo-1-benzofuran-2-yl)pent-3-en-2-ol is sourced from PubChem (CID 103971021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).