4-[(3-amino-4-chlorophenyl)methoxy]phenol

C13H12ClNO2 — CID 117221951

IUPAC4-[(3-amino-4-chlorophenyl)methoxy]phenol
SMILESNc1cc(COc2ccc(O)cc2)ccc1Cl
InChIInChI=1S/C13H12ClNO2/c14-12-6-1-9(7-13(12)15)8-17-11-4-2-10(16)3-5-11/h1-7,16H,8,15H2
InChIKeyWFZOLSPPQGTDFS-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.21
Rot. Bonds3

About 4-[(3-amino-4-chlorophenyl)methoxy]phenol

4-[(3-amino-4-chlorophenyl)methoxy]phenol (PubChem CID 117221951) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-[(3-amino-4-chlorophenyl)methoxy]phenol.

Molecular Properties

Compound Name4-[(3-amino-4-chlorophenyl)methoxy]phenol
PubChem CID117221951
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name4-[(3-amino-4-chlorophenyl)methoxy]phenol
SMILESNc1cc(COc2ccc(O)cc2)ccc1Cl
InChIInChI=1S/C13H12ClNO2/c14-12-6-1-9(7-13(12)15)8-17-11-4-2-10(16)3-5-11/h1-7,16H,8,15H2
InChIKeyWFZOLSPPQGTDFS-UHFFFAOYSA-N
XLogP3.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline
CID 62783723
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-2-chloroaniline
CID 107722857
2-chloro-5-(pyridin-3-yloxymethyl)aniline
CID 117221990
2-chloro-5-(methoxymethyl)aniline
CID 43349916
4-[(3,5-dichlorophenyl)methoxy]phenol
CID 54406351
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
2-amino-4-[(4-bromophenoxy)methyl]phenol
CID 117221968
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
CID 81267909

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-chlorophenyl)methoxy]phenol?
The IUPAC name of 4-[(3-amino-4-chlorophenyl)methoxy]phenol (CID 117221951) is 4-[(3-amino-4-chlorophenyl)methoxy]phenol.
What is the SMILES notation for 4-[(3-amino-4-chlorophenyl)methoxy]phenol?
The canonical SMILES for 4-[(3-amino-4-chlorophenyl)methoxy]phenol is Nc1cc(COc2ccc(O)cc2)ccc1Cl.
What is the InChIKey of 4-[(3-amino-4-chlorophenyl)methoxy]phenol?
The InChIKey is WFZOLSPPQGTDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-12-6-1-9(7-13(12)15)8-17-11-4-2-10(16)3-5-11/h1-7,16H,8,15H2.
What are the key properties of 4-[(3-amino-4-chlorophenyl)methoxy]phenol?
4-[(3-amino-4-chlorophenyl)methoxy]phenol has a molecular weight of 249.70 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-chlorophenyl)methoxy]phenol is sourced from PubChem (CID 117221951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).