4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol

C22H22ClNO3 — CID 2200341

IUPAC4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol
SMILESCCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1Cl
InChIInChI=1S/C22H22ClNO3/c1-2-26-21-9-5-7-16(14-24-18-10-12-19(25)13-11-18)22(21)27-15-17-6-3-4-8-20(17)23/h3-13,24-25H,2,14-15H2,1H3
InChIKeyZPWALEGOWMUUHZ-UHFFFAOYSA-N
MW383.88 g/mol
LogP5.64
Rot. Bonds8

About 4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol

4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol (PubChem CID 2200341) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol
PubChem CID2200341
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol
SMILESCCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1Cl
InChIInChI=1S/C22H22ClNO3/c1-2-26-21-9-5-7-16(14-24-18-10-12-19(25)13-11-18)22(21)27-15-17-6-3-4-8-20(17)23/h3-13,24-25H,2,14-15H2,1H3
InChIKeyZPWALEGOWMUUHZ-UHFFFAOYSA-N
XLogP5.64
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-3-ethoxyphenyl]methylamino]phenol?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol (CID 2200341) is 4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol is CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1Cl.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol?
The InChIKey is ZPWALEGOWMUUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-2-26-21-9-5-7-16(14-24-18-10-12-19(25)13-11-18)22(21)27-15-17-6-3-4-8-20(17)23/h3-13,24-25H,2,14-15H2,1H3.
What are the key properties of 4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol?
4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol has a molecular weight of 383.88 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]phenol is sourced from PubChem (CID 2200341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).