1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol

C11H17BrO2 — CID 65150580

IUPAC1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1ccc(Br)o1
InChIInChI=1S/C11H17BrO2/c1-11(2,3)7-6-8(13)9-4-5-10(12)14-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeyURTLJEZXBDWXPF-UHFFFAOYSA-N
MW261.16 g/mol
LogP3.90
Rot. Bonds3

About 1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol

1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol (PubChem CID 65150580) has the molecular formula C11H17BrO2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol
PubChem CID65150580
Molecular FormulaC11H17BrO2
Molecular Weight261.16 g/mol
Exact Mass260.04
IUPAC Name1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)c1ccc(Br)o1
InChIInChI=1S/C11H17BrO2/c1-11(2,3)7-6-8(13)9-4-5-10(12)14-9/h4-5,8,13H,6-7H2,1-3H3
InChIKeyURTLJEZXBDWXPF-UHFFFAOYSA-N
XLogP3.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromofuran-2-yl)nonan-1-ol
CID 12603007
1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 62608151
1-(3,5-dibromophenyl)-4,4-dimethylpentan-1-ol
CID 107978288
1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103005951
1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol
CID 107093693
4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol
CID 104800841
1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65162067
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
(5-bromofuran-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260156
3-(5-bromofuran-2-yl)-4,4-dimethylpentanoic acid
CID 83826119
4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 62608573
1-(5-bromofuran-2-yl)-2-methylprop-2-en-1-ol
CID 79189901

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol (CID 65150580) is 1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol is CC(C)(C)CCC(O)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is URTLJEZXBDWXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2/c1-11(2,3)7-6-8(13)9-4-5-10(12)14-9/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol?
1-(5-bromofuran-2-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 261.16 g/mol, XLogP of 3.90, 3 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)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 65150580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).