(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol

C13H12BrFOS — CID 106644397

IUPAC(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2cccc(Br)c2F)c(C)s1
InChIInChI=1S/C13H12BrFOS/c1-7-6-10(8(2)17-7)13(16)9-4-3-5-11(14)12(9)15/h3-6,13,16H,1-2H3
InChIKeyYSFXMGRWKLBNDX-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.35
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol (PubChem CID 106644397) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
PubChem CID106644397
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
SMILESCc1cc(C(O)c2cccc(Br)c2F)c(C)s1
InChIInChI=1S/C13H12BrFOS/c1-7-6-10(8(2)17-7)13(16)9-4-3-5-11(14)12(9)15/h3-6,13,16H,1-2H3
InChIKeyYSFXMGRWKLBNDX-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[bromo-(3-bromo-2-fluorophenyl)methyl]-2,5-dimethylthiophene
CID 107958748
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 81111173
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 63186629
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol (CID 106644397) is (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol is Cc1cc(C(O)c2cccc(Br)c2F)c(C)s1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol?
The InChIKey is YSFXMGRWKLBNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c1-7-6-10(8(2)17-7)13(16)9-4-3-5-11(14)12(9)15/h3-6,13,16H,1-2H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol?
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol has a molecular weight of 315.21 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol is sourced from PubChem (CID 106644397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).