1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol

C12H17BrO2 — CID 64756649

IUPAC1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2occc2Br)C1
InChIInChI=1S/C12H17BrO2/c1-8-3-4-9(2)12(14,7-8)11-10(13)5-6-15-11/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyPNYRXCQPGGTPHZ-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.69
Rot. Bonds1

About 1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol

1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol (PubChem CID 64756649) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol
PubChem CID64756649
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(O)(c2occc2Br)C1
InChIInChI=1S/C12H17BrO2/c1-8-3-4-9(2)12(14,7-8)11-10(13)5-6-15-11/h5-6,8-9,14H,3-4,7H2,1-2H3
InChIKeyPNYRXCQPGGTPHZ-UHFFFAOYSA-N
XLogP3.69
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.69
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)-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol (CID 64756649) is 1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol is CC1CCC(C)C(O)(c2occc2Br)C1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol?
The InChIKey is PNYRXCQPGGTPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-8-3-4-9(2)12(14,7-8)11-10(13)5-6-15-11/h5-6,8-9,14H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol?
1-(3-bromofuran-2-yl)-2,5-dimethylcyclohexan-1-ol has a molecular weight of 273.17 g/mol, XLogP of 3.69, 1 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)-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64756649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).