1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol

C8H13BrO2 — CID 154355573

IUPAC1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol
SMILESCC1=CC(Br)C(C)(C(C)O)O1
InChIInChI=1S/C8H13BrO2/c1-5-4-7(9)8(3,11-5)6(2)10/h4,6-7,10H,1-3H3
InChIKeyVVNAWNFHVRSZPQ-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.82
Rot. Bonds1

About 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol

1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol (PubChem CID 154355573) has the molecular formula C8H13BrO2 and a molecular weight of 221.09 g/mol. Its IUPAC name is 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol
PubChem CID154355573
Molecular FormulaC8H13BrO2
Molecular Weight221.09 g/mol
Exact Mass220.01
IUPAC Name1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol
SMILESCC1=CC(Br)C(C)(C(C)O)O1
InChIInChI=1S/C8H13BrO2/c1-5-4-7(9)8(3,11-5)6(2)10/h4,6-7,10H,1-3H3
InChIKeyVVNAWNFHVRSZPQ-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol?
The IUPAC name of 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol (CID 154355573) is 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol?
The canonical SMILES for 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol is CC1=CC(Br)C(C)(C(C)O)O1.
What is the InChIKey of 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol?
The InChIKey is VVNAWNFHVRSZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO2/c1-5-4-7(9)8(3,11-5)6(2)10/h4,6-7,10H,1-3H3.
What are the key properties of 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol?
1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol has a molecular weight of 221.09 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,5-dimethyl-3H-furan-2-yl)ethanol is sourced from PubChem (CID 154355573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).