1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol

C11H9BrO2 — CID 105108452

IUPAC1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C11H9BrO2/c1-2-9(13)10-6-7-4-3-5-8(12)11(7)14-10/h2-6,9,13H,1H2
InChIKeyPQOMETCCVPGQGR-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.41
Rot. Bonds2

About 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol

1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol (PubChem CID 105108452) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol
PubChem CID105108452
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol
SMILESC=CC(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C11H9BrO2/c1-2-9(13)10-6-7-4-3-5-8(12)11(7)14-10/h2-6,9,13H,1H2
InChIKeyPQOMETCCVPGQGR-UHFFFAOYSA-N
XLogP3.41
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid
CID 82625533
1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
CID 105122499
1-(7-bromo-1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 105115438
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromo-2-chlorophenyl)ethanol
CID 105126626
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol
CID 105098554
(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol
CID 106945078
[1-(7-bromo-1-benzofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319774
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol (CID 105108452) is 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol is C=CC(O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol?
The InChIKey is PQOMETCCVPGQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c1-2-9(13)10-6-7-4-3-5-8(12)11(7)14-10/h2-6,9,13H,1H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol?
1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol has a molecular weight of 253.09 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 105108452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).