(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol

C13H9Cl2FO — CID 7153369

IUPAC(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
SMILESO[C@@H](c1cccc(Cl)c1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H9Cl2FO/c14-10-3-1-2-8(4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13,17H/t13-/m0/s1
InChIKeyXYARUYHUTMPKQM-ZDUSSCGKSA-N
MW271.12 g/mol
LogP4.21
Rot. Bonds2

About (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol

(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol (PubChem CID 7153369) has the molecular formula C13H9Cl2FO and a molecular weight of 271.12 g/mol. Its IUPAC name is (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol.

Molecular Properties

Compound Name(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
PubChem CID7153369
Molecular FormulaC13H9Cl2FO
Molecular Weight271.12 g/mol
Exact Mass270.00
IUPAC Name(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
SMILESO[C@@H](c1cccc(Cl)c1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H9Cl2FO/c14-10-3-1-2-8(4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13,17H/t13-/m0/s1
InChIKeyXYARUYHUTMPKQM-ZDUSSCGKSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)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-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(R)-(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
CID 7146499
(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 114521051
(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol
CID 97293464
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
(3-chlorophenyl)-(4-iodophenyl)methanol
CID 114982492
(3,5-difluorophenyl)-(3-iodophenyl)methanol
CID 115793177
(3-chlorophenyl)-(3-phenylphenyl)methanol
CID 171366588
(3-chlorophenyl)-fluoromethanol
CID 70239224
(3-chlorophenyl)methanediol
CID 20679602
(3-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 63894270
(R)-(3,4-dichlorophenyl)-(3-fluorophenyl)methanol
CID 7153378

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol?
The IUPAC name of (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol (CID 7153369) is (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol.
What is the SMILES notation for (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol?
The canonical SMILES for (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol is O[C@@H](c1cccc(Cl)c1)c1cc(F)cc(Cl)c1.
What is the InChIKey of (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol?
The InChIKey is XYARUYHUTMPKQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H9Cl2FO/c14-10-3-1-2-8(4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13,17H/t13-/m0/s1.
What are the key properties of (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol?
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol has a molecular weight of 271.12 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol is sourced from PubChem (CID 7153369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).