2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol

C10H12ClNO3 — CID 82081704

IUPAC2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol
SMILESC/C(=N\O)c1cccc(Cl)c1OCCO
InChIInChI=1S/C10H12ClNO3/c1-7(12-14)8-3-2-4-9(11)10(8)15-6-5-13/h2-4,13-14H,5-6H2,1H3/b12-7+
InChIKeyHEHRSVSMZQTKLL-KPKJPENVSA-N
MW229.66 g/mol
LogP1.91
Rot. Bonds4

About 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol

2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol (PubChem CID 82081704) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol
PubChem CID82081704
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol
SMILESC/C(=N\O)c1cccc(Cl)c1OCCO
InChIInChI=1S/C10H12ClNO3/c1-7(12-14)8-3-2-4-9(11)10(8)15-6-5-13/h2-4,13-14H,5-6H2,1H3/b12-7+
InChIKeyHEHRSVSMZQTKLL-KPKJPENVSA-N
XLogP1.91
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 137052044
1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone
CID 82093759
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 107306639
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]ethanone
CID 60628001
3-chloro-2-heptoxybenzoic acid
CID 112611877
1-(3-chloro-2-prop-2-enoxyphenyl)ethanone
CID 82078008
2-(2,6-dichloro-4-methylphenoxy)ethanol
CID 21396902
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
(NE)-N-[1-[2-(3-chlorophenyl)phenyl]ethylidene]hydroxylamine
CID 164677566
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
CID 107306643
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylphenoxy]ethanol
CID 82077815
1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one
CID 118830150

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol?
The IUPAC name of 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol (CID 82081704) is 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol is C/C(=N\O)c1cccc(Cl)c1OCCO.
What is the InChIKey of 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol?
The InChIKey is HEHRSVSMZQTKLL-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-7(12-14)8-3-2-4-9(11)10(8)15-6-5-13/h2-4,13-14H,5-6H2,1H3/b12-7+.
What are the key properties of 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol?
2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol has a molecular weight of 229.66 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethanol is sourced from PubChem (CID 82081704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).