2-(2-aminooxyethyl)-4-chlorophenol

C8H10ClNO2 — CID 117280923

IUPAC2-(2-aminooxyethyl)-4-chlorophenol
SMILESNOCCc1cc(Cl)ccc1O
InChIInChI=1S/C8H10ClNO2/c9-7-1-2-8(11)6(5-7)3-4-12-10/h1-2,5,11H,3-4,10H2
InChIKeyIMSANHNKWHZOQZ-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.48
Rot. Bonds3

About 2-(2-aminooxyethyl)-4-chlorophenol

2-(2-aminooxyethyl)-4-chlorophenol (PubChem CID 117280923) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-(2-aminooxyethyl)-4-chlorophenol.

Molecular Properties

Compound Name2-(2-aminooxyethyl)-4-chlorophenol
PubChem CID117280923
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name2-(2-aminooxyethyl)-4-chlorophenol
SMILESNOCCc1cc(Cl)ccc1O
InChIInChI=1S/C8H10ClNO2/c9-7-1-2-8(11)6(5-7)3-4-12-10/h1-2,5,11H,3-4,10H2
InChIKeyIMSANHNKWHZOQZ-UHFFFAOYSA-N
XLogP1.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
4-chloro-2-(6-chlorohexyl)phenol
CID 139899855
O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117111465
2-(bromomethyl)-4-chlorophenol
CID 67740326
4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol
CID 23541398
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424
2-[[amino(methyl)amino]methyl]-4-chlorophenol
CID 130033260
4-(2-aminooxyethyl)-2,3-dimethylphenol
CID 117278812
4-chloro-2-[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 12772656
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
4-chloro-2-[2-(dipropylamino)ethyl]phenol
CID 10491251
2-butyl-4-chlorophenol;4-chloro-2-methylphenol
CID 69346609

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethyl)-4-chlorophenol?
The IUPAC name of 2-(2-aminooxyethyl)-4-chlorophenol (CID 117280923) is 2-(2-aminooxyethyl)-4-chlorophenol.
What is the SMILES notation for 2-(2-aminooxyethyl)-4-chlorophenol?
The canonical SMILES for 2-(2-aminooxyethyl)-4-chlorophenol is NOCCc1cc(Cl)ccc1O.
What is the InChIKey of 2-(2-aminooxyethyl)-4-chlorophenol?
The InChIKey is IMSANHNKWHZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c9-7-1-2-8(11)6(5-7)3-4-12-10/h1-2,5,11H,3-4,10H2.
What are the key properties of 2-(2-aminooxyethyl)-4-chlorophenol?
2-(2-aminooxyethyl)-4-chlorophenol has a molecular weight of 187.63 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethyl)-4-chlorophenol is sourced from PubChem (CID 117280923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).