bis(4-chlorophenyl)-(3-fluorophenyl)methanol

C19H13Cl2FO — CID 2758117

IUPACbis(4-chlorophenyl)-(3-fluorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C19H13Cl2FO/c20-16-8-4-13(5-9-16)19(23,14-6-10-17(21)11-7-14)15-2-1-3-18(22)12-15/h1-12,23H
InChIKeyYCLZRYHJGKMMHR-UHFFFAOYSA-N
MW347.22 g/mol
LogP5.42
Rot. Bonds3

About bis(4-chlorophenyl)-(3-fluorophenyl)methanol

bis(4-chlorophenyl)-(3-fluorophenyl)methanol (PubChem CID 2758117) has the molecular formula C19H13Cl2FO and a molecular weight of 347.22 g/mol. Its IUPAC name is bis(4-chlorophenyl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Namebis(4-chlorophenyl)-(3-fluorophenyl)methanol
PubChem CID2758117
Molecular FormulaC19H13Cl2FO
Molecular Weight347.22 g/mol
Exact Mass346.03
IUPAC Namebis(4-chlorophenyl)-(3-fluorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C19H13Cl2FO/c20-16-8-4-13(5-9-16)19(23,14-6-10-17(21)11-7-14)15-2-1-3-18(22)12-15/h1-12,23H
InChIKeyYCLZRYHJGKMMHR-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.22
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)-(3-fluorophenyl)methanol?
The IUPAC name of bis(4-chlorophenyl)-(3-fluorophenyl)methanol (CID 2758117) is bis(4-chlorophenyl)-(3-fluorophenyl)methanol.
What is the SMILES notation for bis(4-chlorophenyl)-(3-fluorophenyl)methanol?
The canonical SMILES for bis(4-chlorophenyl)-(3-fluorophenyl)methanol is OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of bis(4-chlorophenyl)-(3-fluorophenyl)methanol?
The InChIKey is YCLZRYHJGKMMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FO/c20-16-8-4-13(5-9-16)19(23,14-6-10-17(21)11-7-14)15-2-1-3-18(22)12-15/h1-12,23H.
What are the key properties of bis(4-chlorophenyl)-(3-fluorophenyl)methanol?
bis(4-chlorophenyl)-(3-fluorophenyl)methanol has a molecular weight of 347.22 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 2758117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).