(4-chlorophenyl)-(2,4-dichlorophenyl)methanol

C13H9Cl3O — CID 22565435

IUPAC(4-chlorophenyl)-(2,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3O/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13,17H
InChIKeyLLELCYHOZXLHTP-UHFFFAOYSA-N
MW287.57 g/mol
LogP4.73
Rot. Bonds2

About (4-chlorophenyl)-(2,4-dichlorophenyl)methanol

(4-chlorophenyl)-(2,4-dichlorophenyl)methanol (PubChem CID 22565435) has the molecular formula C13H9Cl3O and a molecular weight of 287.57 g/mol. Its IUPAC name is (4-chlorophenyl)-(2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2,4-dichlorophenyl)methanol
PubChem CID22565435
Molecular FormulaC13H9Cl3O
Molecular Weight287.57 g/mol
Exact Mass285.97
IUPAC Name(4-chlorophenyl)-(2,4-dichlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H9Cl3O/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13,17H
InChIKeyLLELCYHOZXLHTP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2,4-dichlorophenyl)methanol?
The IUPAC name of (4-chlorophenyl)-(2,4-dichlorophenyl)methanol (CID 22565435) is (4-chlorophenyl)-(2,4-dichlorophenyl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(2,4-dichlorophenyl)methanol?
The canonical SMILES for (4-chlorophenyl)-(2,4-dichlorophenyl)methanol is OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (4-chlorophenyl)-(2,4-dichlorophenyl)methanol?
The InChIKey is LLELCYHOZXLHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3O/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,13,17H.
What are the key properties of (4-chlorophenyl)-(2,4-dichlorophenyl)methanol?
(4-chlorophenyl)-(2,4-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 (4-chlorophenyl)-(2,4-dichlorophenyl)methanol is sourced from PubChem (CID 22565435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).