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

C24H18ClNO — CID 13383182

IUPAC1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H18ClNO/c25-20-13-10-17(11-14-20)16-26-24(19-7-2-1-3-8-19)23-21-9-5-4-6-18(21)12-15-22(23)27/h1-16,24,27H/b26-16+
InChIKeyLUNCXTLFXIYGBJ-WGOQTCKBSA-N
MW371.87 g/mol
LogP6.41
Rot. Bonds4

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

1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol (PubChem CID 13383182) has the molecular formula C24H18ClNO and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol
PubChem CID13383182
Molecular FormulaC24H18ClNO
Molecular Weight371.87 g/mol
Exact Mass371.11
IUPAC Name1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C24H18ClNO/c25-20-13-10-17(11-14-20)16-26-24(19-7-2-1-3-8-19)23-21-9-5-4-6-18(21)12-15-22(23)27/h1-16,24,27H/b26-16+
InChIKeyLUNCXTLFXIYGBJ-WGOQTCKBSA-N
XLogP6.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 56.41
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]-phenylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol (CID 13383182) is 1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C(/N=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol?
The InChIKey is LUNCXTLFXIYGBJ-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H18ClNO/c25-20-13-10-17(11-14-20)16-26-24(19-7-2-1-3-8-19)23-21-9-5-4-6-18(21)12-15-22(23)27/h1-16,24,27H/b26-16+.
What are the key properties of 1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol?
1-[[(4-chlorophenyl)methylideneamino]-phenylmethyl]naphthalen-2-ol has a molecular weight of 371.87 g/mol, XLogP of 6.41, 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]-phenylmethyl]naphthalen-2-ol is sourced from PubChem (CID 13383182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).