1-(5-bromofuran-2-yl)nonan-1-ol

C13H21BrO2 — CID 12603007

IUPAC1-(5-bromofuran-2-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1ccc(Br)o1
InChIInChI=1S/C13H21BrO2/c1-2-3-4-5-6-7-8-11(15)12-9-10-13(14)16-12/h9-11,15H,2-8H2,1H3
InChIKeyVQONGGQYQQXIKT-UHFFFAOYSA-N
MW289.21 g/mol
LogP4.83
Rot. Bonds8

About 1-(5-bromofuran-2-yl)nonan-1-ol

1-(5-bromofuran-2-yl)nonan-1-ol (PubChem CID 12603007) has the molecular formula C13H21BrO2 and a molecular weight of 289.21 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)nonan-1-ol.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)nonan-1-ol
PubChem CID12603007
Molecular FormulaC13H21BrO2
Molecular Weight289.21 g/mol
Exact Mass288.07
IUPAC Name1-(5-bromofuran-2-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1ccc(Br)o1
InChIInChI=1S/C13H21BrO2/c1-2-3-4-5-6-7-8-11(15)12-9-10-13(14)16-12/h9-11,15H,2-8H2,1H3
InChIKeyVQONGGQYQQXIKT-UHFFFAOYSA-N
XLogP4.83
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-ethylfuran-2-yl)undecan-1-ol
CID 65150077
1-(5-bromofuran-2-yl)hexylhydrazine
CID 105294743
1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol
CID 65150580
5-(1-hydroxyheptyl)furan-2-carboxylic acid
CID 12718415
(1R)-1-(5-bromofuran-2-yl)pentan-1-amine
CID 146012743
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(5-ethylfuran-2-yl)pentan-1-ol
CID 65149618
1-[5-[(Z)-hydroxyiminomethyl]furan-2-yl]hexan-1-ol
CID 131863080
1-(furan-2-yl)decan-1-ol
CID 11085452
1-(2-bromofuran-3-yl)heptan-1-ol
CID 106859123
2-(5-bromofuran-2-yl)hexanenitrile
CID 70543529
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)nonan-1-ol?
The IUPAC name of 1-(5-bromofuran-2-yl)nonan-1-ol (CID 12603007) is 1-(5-bromofuran-2-yl)nonan-1-ol.
What is the SMILES notation for 1-(5-bromofuran-2-yl)nonan-1-ol?
The canonical SMILES for 1-(5-bromofuran-2-yl)nonan-1-ol is CCCCCCCCC(O)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)nonan-1-ol?
The InChIKey is VQONGGQYQQXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrO2/c1-2-3-4-5-6-7-8-11(15)12-9-10-13(14)16-12/h9-11,15H,2-8H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)nonan-1-ol?
1-(5-bromofuran-2-yl)nonan-1-ol has a molecular weight of 289.21 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)nonan-1-ol is sourced from PubChem (CID 12603007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).