2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol

C19H14Cl2O2 — CID 15942656

IUPAC2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol
SMILESCc1ccccc1-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3
InChIKeyVDWAWADVXJMBAA-UHFFFAOYSA-N
MW345.23 g/mol
LogP6.47
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol

2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol (PubChem CID 15942656) has the molecular formula C19H14Cl2O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol
PubChem CID15942656
Molecular FormulaC19H14Cl2O2
Molecular Weight345.23 g/mol
Exact Mass344.04
IUPAC Name2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol
SMILESCc1ccccc1-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
InChIInChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3
InChIKeyVDWAWADVXJMBAA-UHFFFAOYSA-N
XLogP6.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol (CID 15942656) is 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol is Cc1ccccc1-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol?
The InChIKey is VDWAWADVXJMBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O2/c1-12-4-2-3-5-15(12)13-6-8-19(17(22)10-13)23-18-9-7-14(20)11-16(18)21/h2-11,22H,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol?
2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol has a molecular weight of 345.23 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-5-(2-methylphenyl)phenol is sourced from PubChem (CID 15942656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).