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

C15H14ClNO2 — CID 135703127

IUPAC2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol
SMILESCCc1ccc(O)c(/C(=N/O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO2/c1-2-10-3-8-14(18)13(9-10)15(17-19)11-4-6-12(16)7-5-11/h3-9,18-19H,2H2,1H3/b17-15+
InChIKeyIOQRRDPERMTVIA-BMRADRMJSA-N
MW275.74 g/mol
LogP3.83
Rot. Bonds3

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

2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol (PubChem CID 135703127) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol.

Molecular Properties

Compound Name2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol
PubChem CID135703127
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol
SMILESCCc1ccc(O)c(/C(=N/O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO2/c1-2-10-3-8-14(18)13(9-10)15(17-19)11-4-6-12(16)7-5-11/h3-9,18-19H,2H2,1H3/b17-15+
InChIKeyIOQRRDPERMTVIA-BMRADRMJSA-N
XLogP3.83
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol?
The IUPAC name of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol (CID 135703127) is 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol.
What is the SMILES notation for 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol?
The canonical SMILES for 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol is CCc1ccc(O)c(/C(=N/O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol?
The InChIKey is IOQRRDPERMTVIA-BMRADRMJSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-10-3-8-14(18)13(9-10)15(17-19)11-4-6-12(16)7-5-11/h3-9,18-19H,2H2,1H3/b17-15+.
What are the key properties of 2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol?
2-[(E)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]-4-ethylphenol has a molecular weight of 275.74 g/mol, XLogP of 3.83, 3 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]-4-ethylphenol is sourced from PubChem (CID 135703127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).