(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol

C13H12BrFO2 — CID 79747617

IUPAC(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(Br)c2)c(C)o1
InChIInChI=1S/C13H12BrFO2/c1-7-5-10(8(2)17-7)13(16)9-3-4-12(15)11(14)6-9/h3-6,13,16H,1-2H3
InChIKeyZSUFQUOOSHYXQT-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.88
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol

(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol (PubChem CID 79747617) has the molecular formula C13H12BrFO2 and a molecular weight of 299.14 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol
PubChem CID79747617
Molecular FormulaC13H12BrFO2
Molecular Weight299.14 g/mol
Exact Mass298.00
IUPAC Name(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol
SMILESCc1cc(C(O)c2ccc(F)c(Br)c2)c(C)o1
InChIInChI=1S/C13H12BrFO2/c1-7-5-10(8(2)17-7)13(16)9-3-4-12(15)11(14)6-9/h3-6,13,16H,1-2H3
InChIKeyZSUFQUOOSHYXQT-UHFFFAOYSA-N
XLogP3.88
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61081015
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61100714
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 79595160
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
CID 79746628

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol (CID 79747617) is (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol is Cc1cc(C(O)c2ccc(F)c(Br)c2)c(C)o1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
The InChIKey is ZSUFQUOOSHYXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO2/c1-7-5-10(8(2)17-7)13(16)9-3-4-12(15)11(14)6-9/h3-6,13,16H,1-2H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol?
(3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol has a molecular weight of 299.14 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2,5-dimethylfuran-3-yl)methanol is sourced from PubChem (CID 79747617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).