2-amino-4-[(2-chlorophenoxy)methyl]phenol

C13H12ClNO2 — CID 117221784

IUPAC2-amino-4-[(2-chlorophenoxy)methyl]phenol
SMILESNc1cc(COc2ccccc2Cl)ccc1O
InChIInChI=1S/C13H12ClNO2/c14-10-3-1-2-4-13(10)17-8-9-5-6-12(16)11(15)7-9/h1-7,16H,8,15H2
InChIKeyYVRPVJDOKWTOEU-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.21
Rot. Bonds3

About 2-amino-4-[(2-chlorophenoxy)methyl]phenol

2-amino-4-[(2-chlorophenoxy)methyl]phenol (PubChem CID 117221784) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-amino-4-[(2-chlorophenoxy)methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[(2-chlorophenoxy)methyl]phenol
PubChem CID117221784
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-amino-4-[(2-chlorophenoxy)methyl]phenol
SMILESNc1cc(COc2ccccc2Cl)ccc1O
InChIInChI=1S/C13H12ClNO2/c14-10-3-1-2-4-13(10)17-8-9-5-6-12(16)11(15)7-9/h1-7,16H,8,15H2
InChIKeyYVRPVJDOKWTOEU-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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[(2-chlorophenoxy)methyl]phenol
CID 117220261
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351
2-chloro-5-[(2-methylphenoxy)methyl]aniline
CID 43349942
2-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
magnesium;1-chloro-2-(phenylmethoxy)benzene;bromide
CID 91655253
5-chloro-2-[(2-chlorophenoxy)methyl]phenol
CID 117221050
2-amino-4-[(4-bromophenoxy)methyl]phenol
CID 117221968
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
2-[[4-(aminomethyl)phenyl]methoxy]phenol
CID 105486618

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-chlorophenoxy)methyl]phenol?
The IUPAC name of 2-amino-4-[(2-chlorophenoxy)methyl]phenol (CID 117221784) is 2-amino-4-[(2-chlorophenoxy)methyl]phenol.
What is the SMILES notation for 2-amino-4-[(2-chlorophenoxy)methyl]phenol?
The canonical SMILES for 2-amino-4-[(2-chlorophenoxy)methyl]phenol is Nc1cc(COc2ccccc2Cl)ccc1O.
What is the InChIKey of 2-amino-4-[(2-chlorophenoxy)methyl]phenol?
The InChIKey is YVRPVJDOKWTOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-10-3-1-2-4-13(10)17-8-9-5-6-12(16)11(15)7-9/h1-7,16H,8,15H2.
What are the key properties of 2-amino-4-[(2-chlorophenoxy)methyl]phenol?
2-amino-4-[(2-chlorophenoxy)methyl]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 2-amino-4-[(2-chlorophenoxy)methyl]phenol is sourced from PubChem (CID 117221784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).