1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol

C18H13Cl2NO2 — CID 594576

IUPAC1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol
SMILESOc1ccc2ccc(O)c(/C=N/Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C18H13Cl2NO2/c19-13-4-1-12(17(20)7-13)9-21-10-16-15-8-14(22)5-2-11(15)3-6-18(16)23/h1-8,10,22-23H,9H2/b21-10+
InChIKeyLBDLGDFQLSYPMX-UFFVCSGVSA-N
MW346.21 g/mol
LogP5.18
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol

1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol (PubChem CID 594576) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol
PubChem CID594576
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol
SMILESOc1ccc2ccc(O)c(/C=N/Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C18H13Cl2NO2/c19-13-4-1-12(17(20)7-13)9-21-10-16-15-8-14(22)5-2-11(15)3-6-18(16)23/h1-8,10,22-23H,9H2/b21-10+
InChIKeyLBDLGDFQLSYPMX-UFFVCSGVSA-N
XLogP5.18
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol (CID 594576) is 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol is Oc1ccc2ccc(O)c(/C=N/Cc3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol?
The InChIKey is LBDLGDFQLSYPMX-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c19-13-4-1-12(17(20)7-13)9-21-10-16-15-8-14(22)5-2-11(15)3-6-18(16)23/h1-8,10,22-23H,9H2/b21-10+.
What are the key properties of 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol?
1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol has a molecular weight of 346.21 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,7-diol is sourced from PubChem (CID 594576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).