2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol

C14H12ClNO2 — CID 135703129

IUPAC2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol
SMILESCc1cccc(/C(=N/O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H12ClNO2/c1-9-3-2-4-12(14(9)17)13(16-18)10-5-7-11(15)8-6-10/h2-8,17-18H,1H3/b16-13+
InChIKeyDVOUCWUFAZJUSR-DTQAZKPQSA-N
MW261.71 g/mol
LogP3.58
Rot. Bonds2

About 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol

2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol (PubChem CID 135703129) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol
PubChem CID135703129
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol
SMILESCc1cccc(/C(=N/O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H12ClNO2/c1-9-3-2-4-12(14(9)17)13(16-18)10-5-7-11(15)8-6-10/h2-8,17-18H,1H3/b16-13+
InChIKeyDVOUCWUFAZJUSR-DTQAZKPQSA-N
XLogP3.58
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-Chloro-6-[1-(hydroxyamino)ethylidene]cyclohexa-2,4-dien-1-one
CID 135589127
4-[2-(4-Chloro-phenyl)-vinyl]-2,6-dimethyl-phenol
CID 14771910
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-hydroxyphenyl)phenol
CID 136180341
2-((Butylimino)(4-chlorophenyl)methyl)-4-fluorophenol
CID 3061945
(2-Hydroxy-5-methylphenyl)(phenyl)methanone oxime
CID 135699305
Methanone, (2-hydroxy-5-nonylphenyl)phenyl-, oxime
CID 135993871
2-[N-hydroxy-C-(2-hydroxyphenyl)carbonimidoyl]phenol
CID 135758986
2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol
CID 135980484
2-(Methylimino-(2-chlorophenyl)methyl)-4-chlorophenol
CID 3061910
2-((Butylimino)(4-chlorophenyl)methyl)-4-(1,1-dimethylethyl)phenol
CID 3061944
2-(n-Butylimino-(4-chlorophenyl)methyl)-4-phenylphenol
CID 3061947
Benzaldehyde, 5-chloro-3-ethyl-2-hydroxy-, oxime
CID 135850197

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol?
The IUPAC name of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol (CID 135703129) is 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol.
What is the SMILES notation for 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol?
The canonical SMILES for 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol is Cc1cccc(/C(=N/O)c2ccc(Cl)cc2)c1O.
What is the InChIKey of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol?
The InChIKey is DVOUCWUFAZJUSR-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-9-3-2-4-12(14(9)17)13(16-18)10-5-7-11(15)8-6-10/h2-8,17-18H,1H3/b16-13+.
What are the key properties of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol?
2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol has a molecular weight of 261.71 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-6-methylphenol is sourced from PubChem (CID 135703129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).