(3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol

C12H17BrO2 — CID 115800584

IUPAC(3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCC1(C)C(C(O)c2occc2Br)C1(C)C
InChIInChI=1S/C12H17BrO2/c1-11(2)10(12(11,3)4)8(14)9-7(13)5-6-15-9/h5-6,8,10,14H,1-4H3
InChIKeyYPJWFKDCJIJHOV-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.76
Rot. Bonds2

About (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol

(3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol (PubChem CID 115800584) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
PubChem CID115800584
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name(3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCC1(C)C(C(O)c2occc2Br)C1(C)C
InChIInChI=1S/C12H17BrO2/c1-11(2)10(12(11,3)4)8(14)9-7(13)5-6-15-9/h5-6,8,10,14H,1-4H3
InChIKeyYPJWFKDCJIJHOV-UHFFFAOYSA-N
XLogP3.76
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol (CID 115800584) is (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol is CC1(C)C(C(O)c2occc2Br)C1(C)C.
What is the InChIKey of (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The InChIKey is YPJWFKDCJIJHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-11(2)10(12(11,3)4)8(14)9-7(13)5-6-15-9/h5-6,8,10,14H,1-4H3.
What are the key properties of (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
(3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol has a molecular weight of 273.17 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol is sourced from PubChem (CID 115800584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).