[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol

C14H11Cl2NO — CID 793154

IUPAC[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol
SMILESOCc1cccc(/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2NO/c15-12-5-4-11(14(16)7-12)8-17-13-3-1-2-10(6-13)9-18/h1-8,18H,9H2/b17-8+
InChIKeyDWCSNKHXSUZRDK-CAOOACKPSA-N
MW280.15 g/mol
LogP4.24
Rot. Bonds3

About [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol

[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol (PubChem CID 793154) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol
PubChem CID793154
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol
SMILESOCc1cccc(/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2NO/c15-12-5-4-11(14(16)7-12)8-17-13-3-1-2-10(6-13)9-18/h1-8,18H,9H2/b17-8+
InChIKeyDWCSNKHXSUZRDK-CAOOACKPSA-N
XLogP4.24
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol?
The IUPAC name of [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol (CID 793154) is [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol.
What is the SMILES notation for [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol?
The canonical SMILES for [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol is OCc1cccc(/N=C/c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol?
The InChIKey is DWCSNKHXSUZRDK-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-12-5-4-11(14(16)7-12)8-17-13-3-1-2-10(6-13)9-18/h1-8,18H,9H2/b17-8+.
What are the key properties of [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol?
[3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol has a molecular weight of 280.15 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dichlorophenyl)methylideneamino]phenyl]methanol is sourced from PubChem (CID 793154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).