[4-(4-amino-2-chlorophenoxy)phenyl]methanol

C13H12ClNO2 — CID 61229518

IUPAC[4-(4-amino-2-chlorophenoxy)phenyl]methanol
SMILESNc1ccc(Oc2ccc(CO)cc2)c(Cl)c1
InChIInChI=1S/C13H12ClNO2/c14-12-7-10(15)3-6-13(12)17-11-4-1-9(8-16)2-5-11/h1-7,16H,8,15H2
InChIKeyZTRUZZIZJGSKOS-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.21
Rot. Bonds3

About [4-(4-amino-2-chlorophenoxy)phenyl]methanol

[4-(4-amino-2-chlorophenoxy)phenyl]methanol (PubChem CID 61229518) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is [4-(4-amino-2-chlorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2-chlorophenoxy)phenyl]methanol
PubChem CID61229518
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name[4-(4-amino-2-chlorophenoxy)phenyl]methanol
SMILESNc1ccc(Oc2ccc(CO)cc2)c(Cl)c1
InChIInChI=1S/C13H12ClNO2/c14-12-7-10(15)3-6-13(12)17-11-4-1-9(8-16)2-5-11/h1-7,16H,8,15H2
InChIKeyZTRUZZIZJGSKOS-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

4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141
N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide
CID 132591041
3-chloro-4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
CID 70464458
[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 66825550
[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]methanol
CID 81151526
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
CID 139337332
2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107708403

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-chlorophenoxy)phenyl]methanol?
The IUPAC name of [4-(4-amino-2-chlorophenoxy)phenyl]methanol (CID 61229518) is [4-(4-amino-2-chlorophenoxy)phenyl]methanol.
What is the SMILES notation for [4-(4-amino-2-chlorophenoxy)phenyl]methanol?
The canonical SMILES for [4-(4-amino-2-chlorophenoxy)phenyl]methanol is Nc1ccc(Oc2ccc(CO)cc2)c(Cl)c1.
What is the InChIKey of [4-(4-amino-2-chlorophenoxy)phenyl]methanol?
The InChIKey is ZTRUZZIZJGSKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-12-7-10(15)3-6-13(12)17-11-4-1-9(8-16)2-5-11/h1-7,16H,8,15H2.
What are the key properties of [4-(4-amino-2-chlorophenoxy)phenyl]methanol?
[4-(4-amino-2-chlorophenoxy)phenyl]methanol 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-(4-amino-2-chlorophenoxy)phenyl]methanol is sourced from PubChem (CID 61229518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).