4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol

C16H16ClNO2 — CID 4092804

IUPAC4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol
SMILESCc1cc(Cl)cc(C(CCc2ccccc2)=NO)c1O
InChIInChI=1S/C16H16ClNO2/c1-11-9-13(17)10-14(16(11)19)15(18-20)8-7-12-5-3-2-4-6-12/h2-6,9-10,19-20H,7-8H2,1H3
InChIKeyQLCFBBVSJXUHNO-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.17
Rot. Bonds4

About 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol

4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol (PubChem CID 4092804) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol.

Molecular Properties

Compound Name4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol
PubChem CID4092804
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol
SMILESCc1cc(Cl)cc(C(CCc2ccccc2)=NO)c1O
InChIInChI=1S/C16H16ClNO2/c1-11-9-13(17)10-14(16(11)19)15(18-20)8-7-12-5-3-2-4-6-12/h2-6,9-10,19-20H,7-8H2,1H3
InChIKeyQLCFBBVSJXUHNO-UHFFFAOYSA-N
XLogP4.17
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.17
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 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol?
The IUPAC name of 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol (CID 4092804) is 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol.
What is the SMILES notation for 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol?
The canonical SMILES for 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol is Cc1cc(Cl)cc(C(CCc2ccccc2)=NO)c1O.
What is the InChIKey of 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol?
The InChIKey is QLCFBBVSJXUHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-9-13(17)10-14(16(11)19)15(18-20)8-7-12-5-3-2-4-6-12/h2-6,9-10,19-20H,7-8H2,1H3.
What are the key properties of 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol?
4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol has a molecular weight of 289.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[N-hydroxy-C-(2-phenylethyl)carbonimidoyl]-6-methylphenol is sourced from PubChem (CID 4092804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).