4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol

C20H18ClNO2 — CID 833993

IUPAC4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol
SMILESOc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClNO2/c21-19-7-3-1-6-16(19)14-24-20-8-4-2-5-15(20)13-22-17-9-11-18(23)12-10-17/h1-12,22-23H,13-14H2
InChIKeyBGTSSWDXBZRGGB-UHFFFAOYSA-N
MW339.82 g/mol
LogP5.24
Rot. Bonds6

About 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol

4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol (PubChem CID 833993) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol
PubChem CID833993
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol
SMILESOc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClNO2/c21-19-7-3-1-6-16(19)14-24-20-8-4-2-5-15(20)13-22-17-9-11-18(23)12-10-17/h1-12,22-23H,13-14H2
InChIKeyBGTSSWDXBZRGGB-UHFFFAOYSA-N
XLogP5.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.82
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol (CID 833993) is 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol is Oc1ccc(NCc2ccccc2OCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol?
The InChIKey is BGTSSWDXBZRGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c21-19-7-3-1-6-16(19)14-24-20-8-4-2-5-15(20)13-22-17-9-11-18(23)12-10-17/h1-12,22-23H,13-14H2.
What are the key properties of 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol?
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol has a molecular weight of 339.82 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]phenol is sourced from PubChem (CID 833993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).