phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol

C19H13Cl3O2 — CID 22767105

IUPACphenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol
SMILESOC(c1ccccc1)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H13Cl3O2/c20-14-10-16(21)19(17(22)11-14)24-15-8-6-13(7-9-15)18(23)12-4-2-1-3-5-12/h1-11,18,23H
InChIKeyVTPVVIVOLHUXDV-UHFFFAOYSA-N
MW379.67 g/mol
LogP6.52
Rot. Bonds4

About phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol

phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol (PubChem CID 22767105) has the molecular formula C19H13Cl3O2 and a molecular weight of 379.67 g/mol. Its IUPAC name is phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol.

Molecular Properties

Compound Namephenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol
PubChem CID22767105
Molecular FormulaC19H13Cl3O2
Molecular Weight379.67 g/mol
Exact Mass378.00
IUPAC Namephenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol
SMILESOC(c1ccccc1)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H13Cl3O2/c20-14-10-16(21)19(17(22)11-14)24-15-8-6-13(7-9-15)18(23)12-4-2-1-3-5-12/h1-11,18,23H
InChIKeyVTPVVIVOLHUXDV-UHFFFAOYSA-N
XLogP6.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.67
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol?
The IUPAC name of phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol (CID 22767105) is phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol.
What is the SMILES notation for phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol?
The canonical SMILES for phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol is OC(c1ccccc1)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol?
The InChIKey is VTPVVIVOLHUXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3O2/c20-14-10-16(21)19(17(22)11-14)24-15-8-6-13(7-9-15)18(23)12-4-2-1-3-5-12/h1-11,18,23H.
What are the key properties of phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol?
phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol has a molecular weight of 379.67 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol is sourced from PubChem (CID 22767105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).