(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol

C13H9BrClFO — CID 97293464

IUPAC(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol
SMILESO[C@@H](c1cc(F)cc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C13H9BrClFO/c14-12-4-2-1-3-11(12)13(17)8-5-9(15)7-10(16)6-8/h1-7,13,17H/t13-/m0/s1
InChIKeyRILBPESELJVUDJ-ZDUSSCGKSA-N
MW315.57 g/mol
LogP4.32
Rot. Bonds2

About (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol

(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol (PubChem CID 97293464) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol
PubChem CID97293464
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol
SMILESO[C@@H](c1cc(F)cc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C13H9BrClFO/c14-12-4-2-1-3-11(12)13(17)8-5-9(15)7-10(16)6-8/h1-7,13,17H/t13-/m0/s1
InChIKeyRILBPESELJVUDJ-ZDUSSCGKSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-bromophenyl)-(3,5-dichlorophenyl)methanol
CID 97293471
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol
CID 114454131
(R)-(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
CID 7146499
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
CID 7153369
(2-bromophenyl)-(2,5-difluorophenyl)methanol
CID 61101637
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
(2-bromophenyl)-(4-propan-2-ylphenyl)methanol
CID 61083322
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953

Frequently Asked Questions

What is the IUPAC name of (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol?
The IUPAC name of (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol (CID 97293464) is (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol.
What is the SMILES notation for (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol?
The canonical SMILES for (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol is O[C@@H](c1cc(F)cc(Cl)c1)c1ccccc1Br.
What is the InChIKey of (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol?
The InChIKey is RILBPESELJVUDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-12-4-2-1-3-11(12)13(17)8-5-9(15)7-10(16)6-8/h1-7,13,17H/t13-/m0/s1.
What are the key properties of (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol?
(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol has a molecular weight of 315.57 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol is sourced from PubChem (CID 97293464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).