5-(4-aminophenoxy)-2-chlorophenol

C12H10ClNO2 — CID 129011714

IUPAC5-(4-aminophenoxy)-2-chlorophenol
SMILESNc1ccc(Oc2ccc(Cl)c(O)c2)cc1
InChIInChI=1S/C12H10ClNO2/c13-11-6-5-10(7-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,15H,14H2
InChIKeyLHFZJUOFKZYXBO-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.42
Rot. Bonds2

About 5-(4-aminophenoxy)-2-chlorophenol

5-(4-aminophenoxy)-2-chlorophenol (PubChem CID 129011714) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 5-(4-aminophenoxy)-2-chlorophenol.

Molecular Properties

Compound Name5-(4-aminophenoxy)-2-chlorophenol
PubChem CID129011714
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name5-(4-aminophenoxy)-2-chlorophenol
SMILESNc1ccc(Oc2ccc(Cl)c(O)c2)cc1
InChIInChI=1S/C12H10ClNO2/c13-11-6-5-10(7-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,15H,14H2
InChIKeyLHFZJUOFKZYXBO-UHFFFAOYSA-N
XLogP3.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(4-aminophenoxy)-2-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(4-methylphenoxy)phenol
CID 70825108
4-(4-aminophenoxy)aniline
CID 161415647
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
4-[3-(4-aminophenoxy)-5-chlorophenoxy]aniline
CID 141268738
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-hydroxyphenyl]benzoic acid
CID 175703106
4-(4-aminophenoxy)benzene-1,2-diol;3,4-dihydroxybenzoic acid
CID 69010331
4-(4-aminophenoxy)-2-tert-butylphenol
CID 59364702
4-(4-aminophenoxy)-2-chlorobenzonitrile
CID 62945049
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
6-(4-aminophenoxy)isoquinolin-4-ol
CID 174742458
4-[3-(4-aminophenoxy)-4-[2,4-bis(4-aminophenoxy)phenoxy]phenoxy]aniline
CID 160580543

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenoxy)-2-chlorophenol?
The IUPAC name of 5-(4-aminophenoxy)-2-chlorophenol (CID 129011714) is 5-(4-aminophenoxy)-2-chlorophenol.
What is the SMILES notation for 5-(4-aminophenoxy)-2-chlorophenol?
The canonical SMILES for 5-(4-aminophenoxy)-2-chlorophenol is Nc1ccc(Oc2ccc(Cl)c(O)c2)cc1.
What is the InChIKey of 5-(4-aminophenoxy)-2-chlorophenol?
The InChIKey is LHFZJUOFKZYXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-11-6-5-10(7-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,15H,14H2.
What are the key properties of 5-(4-aminophenoxy)-2-chlorophenol?
5-(4-aminophenoxy)-2-chlorophenol has a molecular weight of 235.67 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenoxy)-2-chlorophenol is sourced from PubChem (CID 129011714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).