(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol

C13H9BrF2O — CID 94601821

IUPAC(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
SMILESO[C@@H](c1cc(F)cc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrF2O/c14-10-3-1-2-8(4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13,17H/t13-/m1/s1
InChIKeyOLQISAMSKVXZHN-CYBMUJFWSA-N
MW299.11 g/mol
LogP3.81
Rot. Bonds2

About (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol

(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol (PubChem CID 94601821) has the molecular formula C13H9BrF2O and a molecular weight of 299.11 g/mol. Its IUPAC name is (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
PubChem CID94601821
Molecular FormulaC13H9BrF2O
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
SMILESO[C@@H](c1cc(F)cc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C13H9BrF2O/c14-10-3-1-2-8(4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13,17H/t13-/m1/s1
InChIKeyOLQISAMSKVXZHN-CYBMUJFWSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-(3-bromophenyl)-(3,5-difluorophenyl)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

(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(3,5-difluorophenyl)-(3-iodophenyl)methanol
CID 115793177
(3-bromophenyl)-(3-methylsulfanylphenyl)methanol
CID 91657590
(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
CID 114602324
(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 66424633
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
(R)-(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
CID 7146499
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
CID 65296831
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
CID 7153369

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol?
The IUPAC name of (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol (CID 94601821) is (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol.
What is the SMILES notation for (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol?
The canonical SMILES for (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol is O[C@@H](c1cc(F)cc(F)c1)c1cccc(Br)c1.
What is the InChIKey of (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol?
The InChIKey is OLQISAMSKVXZHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-10-3-1-2-8(4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13,17H/t13-/m1/s1.
What are the key properties of (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol?
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol has a molecular weight of 299.11 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 94601821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).