1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol

C13H13BrO2 — CID 107577593

IUPAC1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol
SMILESCc1cc(Br)cc(-c2ccc(C(C)O)o2)c1
InChIInChI=1S/C13H13BrO2/c1-8-5-10(7-11(14)6-8)13-4-3-12(16-13)9(2)15/h3-7,9,15H,1-2H3
InChIKeyIDTGVHAWYGSKPA-UHFFFAOYSA-N
MW281.15 g/mol
LogP4.07
Rot. Bonds2

About 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol

1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol (PubChem CID 107577593) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol
PubChem CID107577593
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol
SMILESCc1cc(Br)cc(-c2ccc(C(C)O)o2)c1
InChIInChI=1S/C13H13BrO2/c1-8-5-10(7-11(14)6-8)13-4-3-12(16-13)9(2)15/h3-7,9,15H,1-2H3
InChIKeyIDTGVHAWYGSKPA-UHFFFAOYSA-N
XLogP4.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol?
The IUPAC name of 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol (CID 107577593) is 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol.
What is the SMILES notation for 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol?
The canonical SMILES for 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol is Cc1cc(Br)cc(-c2ccc(C(C)O)o2)c1.
What is the InChIKey of 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol?
The InChIKey is IDTGVHAWYGSKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-8-5-10(7-11(14)6-8)13-4-3-12(16-13)9(2)15/h3-7,9,15H,1-2H3.
What are the key properties of 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol?
1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol has a molecular weight of 281.15 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethanol is sourced from PubChem (CID 107577593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).