1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol

C14H14BrClO2 — CID 104725052

IUPAC1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol
SMILESCc1cc(Br)c(-c2ccc(CC(C)O)o2)cc1Cl
InChIInChI=1S/C14H14BrClO2/c1-8-5-12(15)11(7-13(8)16)14-4-3-10(18-14)6-9(2)17/h3-5,7,9,17H,6H2,1-2H3
InChIKeyFVKWUTRVCXOCST-UHFFFAOYSA-N
MW329.62 g/mol
LogP4.59
Rot. Bonds3

About 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol

1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol (PubChem CID 104725052) has the molecular formula C14H14BrClO2 and a molecular weight of 329.62 g/mol. Its IUPAC name is 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol
PubChem CID104725052
Molecular FormulaC14H14BrClO2
Molecular Weight329.62 g/mol
Exact Mass327.99
IUPAC Name1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol
SMILESCc1cc(Br)c(-c2ccc(CC(C)O)o2)cc1Cl
InChIInChI=1S/C14H14BrClO2/c1-8-5-12(15)11(7-13(8)16)14-4-3-10(18-14)6-9(2)17/h3-5,7,9,17H,6H2,1-2H3
InChIKeyFVKWUTRVCXOCST-UHFFFAOYSA-N
XLogP4.59
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol?
The IUPAC name of 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol (CID 104725052) is 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol?
The canonical SMILES for 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol is Cc1cc(Br)c(-c2ccc(CC(C)O)o2)cc1Cl.
What is the InChIKey of 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol?
The InChIKey is FVKWUTRVCXOCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClO2/c1-8-5-12(15)11(7-13(8)16)14-4-3-10(18-14)6-9(2)17/h3-5,7,9,17H,6H2,1-2H3.
What are the key properties of 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol?
1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol has a molecular weight of 329.62 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol is sourced from PubChem (CID 104725052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).