(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol

C13H9Cl3O — CID 26595568

IUPAC(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
SMILESO[C@@H](c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl3O/c14-10-3-1-8(2-4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13,17H/t13-/m0/s1
InChIKeyFLHVCULFAXPOGI-ZDUSSCGKSA-N
MW287.57 g/mol
LogP4.73
Rot. Bonds2

About (S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol

(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol (PubChem CID 26595568) has the molecular formula C13H9Cl3O and a molecular weight of 287.57 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
PubChem CID26595568
Molecular FormulaC13H9Cl3O
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
SMILESO[C@@H](c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl3O/c14-10-3-1-8(2-4-10)13(17)9-5-11(15)7-12(16)6-9/h1-7,13,17H/t13-/m0/s1
InChIKeyFLHVCULFAXPOGI-ZDUSSCGKSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol
CID 26595571
(3,5-dichlorophenyl)-(4-methoxyphenyl)methanol
CID 61100898
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63519476
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324135

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol?
The IUPAC name of (S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol (CID 26595568) is (S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol.
What is the SMILES notation for (S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol?
The canonical SMILES for (S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol is O[C@@H](c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol?
The InChIKey is FLHVCULFAXPOGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H9Cl3O/c14-10-3-1-8(2-4-10)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)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol?
(S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol has a molecular weight of 287.57 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chlorophenyl)-(3,5-dichlorophenyl)methanol is sourced from PubChem (CID 26595568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).