1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol

C11H17BrO2 — CID 64514193

IUPAC1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCc1occc1Br
InChIInChI=1S/C11H17BrO2/c1-11(2,3)10(13)5-4-9-8(12)6-7-14-9/h6-7,10,13H,4-5H2,1-3H3
InChIKeyBWSBCIDPNPMORI-UHFFFAOYSA-N
MW261.16 g/mol
LogP3.38
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol

1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol (PubChem CID 64514193) has the molecular formula C11H17BrO2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol
PubChem CID64514193
Molecular FormulaC11H17BrO2
Molecular Weight261.16 g/mol
Exact Mass260.04
IUPAC Name1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol
SMILESCC(C)(C)C(O)CCc1occc1Br
InChIInChI=1S/C11H17BrO2/c1-11(2,3)10(13)5-4-9-8(12)6-7-14-9/h6-7,10,13H,4-5H2,1-3H3
InChIKeyBWSBCIDPNPMORI-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol (CID 64514193) is 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol is CC(C)(C)C(O)CCc1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol?
The InChIKey is BWSBCIDPNPMORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2/c1-11(2,3)10(13)5-4-9-8(12)6-7-14-9/h6-7,10,13H,4-5H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol?
1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol has a molecular weight of 261.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 64514193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).