1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol

C14H15BrO2 — CID 63948585

IUPAC1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2occc2Br)cc1C
InChIInChI=1S/C14H15BrO2/c1-9-4-5-11(8-10(9)2)14(3,16)13-12(15)6-7-17-13/h4-8,16H,1-3H3
InChIKeyYOKAUBYXRMLSSG-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.91
Rot. Bonds2

About 1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol

1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol (PubChem CID 63948585) has the molecular formula C14H15BrO2 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol
PubChem CID63948585
Molecular FormulaC14H15BrO2
Molecular Weight295.18 g/mol
Exact Mass294.03
IUPAC Name1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2occc2Br)cc1C
InChIInChI=1S/C14H15BrO2/c1-9-4-5-11(8-10(9)2)14(3,16)13-12(15)6-7-17-13/h4-8,16H,1-3H3
InChIKeyYOKAUBYXRMLSSG-UHFFFAOYSA-N
XLogP3.91
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.91
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)-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol (CID 63948585) is 1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol is Cc1ccc(C(C)(O)c2occc2Br)cc1C.
What is the InChIKey of 1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is YOKAUBYXRMLSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2/c1-9-4-5-11(8-10(9)2)14(3,16)13-12(15)6-7-17-13/h4-8,16H,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol?
1-(3-bromofuran-2-yl)-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 295.18 g/mol, XLogP of 3.91, 2 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)-1-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 63948585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).