2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol

C19H15Cl2NO2 — CID 71733547

IUPAC2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol
SMILESOc1cc(Cl)ccc1Oc1ccc(CNc2ccccc2)cc1Cl
InChIInChI=1S/C19H15Cl2NO2/c20-14-7-9-19(17(23)11-14)24-18-8-6-13(10-16(18)21)12-22-15-4-2-1-3-5-15/h1-11,22-23H,12H2
InChIKeyCCVYFMASDLGDMS-UHFFFAOYSA-N
MW360.24 g/mol
LogP6.10
Rot. Bonds5

About 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol

2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol (PubChem CID 71733547) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol.

Molecular Properties

Compound Name2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol
PubChem CID71733547
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC Name2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol
SMILESOc1cc(Cl)ccc1Oc1ccc(CNc2ccccc2)cc1Cl
InChIInChI=1S/C19H15Cl2NO2/c20-14-7-9-19(17(23)11-14)24-18-8-6-13(10-16(18)21)12-22-15-4-2-1-3-5-15/h1-11,22-23H,12H2
InChIKeyCCVYFMASDLGDMS-UHFFFAOYSA-N
XLogP6.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol?
The IUPAC name of 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol (CID 71733547) is 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol.
What is the SMILES notation for 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol?
The canonical SMILES for 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol is Oc1cc(Cl)ccc1Oc1ccc(CNc2ccccc2)cc1Cl.
What is the InChIKey of 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol?
The InChIKey is CCVYFMASDLGDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c20-14-7-9-19(17(23)11-14)24-18-8-6-13(10-16(18)21)12-22-15-4-2-1-3-5-15/h1-11,22-23H,12H2.
What are the key properties of 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol?
2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol has a molecular weight of 360.24 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(anilinomethyl)-2-chlorophenoxy]-5-chlorophenol is sourced from PubChem (CID 71733547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).