2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol

C21H18ClNO2 — CID 4010995

IUPAC2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol
SMILESCc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c(O)c1
InChIInChI=1S/C21H18ClNO2/c1-14-6-8-19(21(25)10-14)23-13-17-12-15(7-9-20(17)24)11-16-4-2-3-5-18(16)22/h2-10,12-13,24-25H,11H2,1H3/b23-13+
InChIKeyXMRVUKCLUZHUBE-YDZHTSKRSA-N
MW351.83 g/mol
LogP5.40
Rot. Bonds4

About 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol

2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol (PubChem CID 4010995) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol.

Molecular Properties

Compound Name2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol
PubChem CID4010995
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol
SMILESCc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c(O)c1
InChIInChI=1S/C21H18ClNO2/c1-14-6-8-19(21(25)10-14)23-13-17-12-15(7-9-20(17)24)11-16-4-2-3-5-18(16)22/h2-10,12-13,24-25H,11H2,1H3/b23-13+
InChIKeyXMRVUKCLUZHUBE-YDZHTSKRSA-N
XLogP5.40
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol?
The IUPAC name of 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol (CID 4010995) is 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol.
What is the SMILES notation for 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol?
The canonical SMILES for 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol is Cc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c(O)c1.
What is the InChIKey of 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol?
The InChIKey is XMRVUKCLUZHUBE-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H18ClNO2/c1-14-6-8-19(21(25)10-14)23-13-17-12-15(7-9-20(17)24)11-16-4-2-3-5-18(16)22/h2-10,12-13,24-25H,11H2,1H3/b23-13+.
What are the key properties of 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol?
2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol has a molecular weight of 351.83 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol is sourced from PubChem (CID 4010995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).