1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol

C25H20ClNO — CID 71505579

IUPAC1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol
SMILESCc1ccc(C(/N=C/c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C25H20ClNO/c1-17-6-10-20(11-7-17)25(27-16-18-8-13-21(26)14-9-18)24-22-5-3-2-4-19(22)12-15-23(24)28/h2-16,25,28H,1H3/b27-16+
InChIKeyGOUKYKLPYBJGQK-JVWAILMASA-N
MW385.89 g/mol
LogP6.72
Rot. Bonds4

About 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol

1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol (PubChem CID 71505579) has the molecular formula C25H20ClNO and a molecular weight of 385.89 g/mol. Its IUPAC name is 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol
PubChem CID71505579
Molecular FormulaC25H20ClNO
Molecular Weight385.89 g/mol
Exact Mass385.12
IUPAC Name1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol
SMILESCc1ccc(C(/N=C/c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C25H20ClNO/c1-17-6-10-20(11-7-17)25(27-16-18-8-13-21(26)14-9-18)24-22-5-3-2-4-19(22)12-15-23(24)28/h2-16,25,28H,1H3/b27-16+
InChIKeyGOUKYKLPYBJGQK-JVWAILMASA-N
XLogP6.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.89
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol (CID 71505579) is 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol is Cc1ccc(C(/N=C/c2ccc(Cl)cc2)c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol?
The InChIKey is GOUKYKLPYBJGQK-JVWAILMASA-N. The full InChI is InChI=1S/C25H20ClNO/c1-17-6-10-20(11-7-17)25(27-16-18-8-13-21(26)14-9-18)24-22-5-3-2-4-19(22)12-15-23(24)28/h2-16,25,28H,1H3/b27-16+.
What are the key properties of 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol?
1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol has a molecular weight of 385.89 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chlorophenyl)methylideneamino]-(4-methylphenyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 71505579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).