4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol

C17H18FNO — CID 71520132

IUPAC4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1/N=C/c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-11(2)15-9-16(12(3)8-17(15)20)19-10-13-4-6-14(18)7-5-13/h4-11,20H,1-3H3/b19-10+
InChIKeyXXBHIMNGMFUDRG-VXLYETTFSA-N
MW271.33 g/mol
LogP4.71
Rot. Bonds3

About 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol

4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol (PubChem CID 71520132) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol
PubChem CID71520132
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol
SMILESCc1cc(O)c(C(C)C)cc1/N=C/c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-11(2)15-9-16(12(3)8-17(15)20)19-10-13-4-6-14(18)7-5-13/h4-11,20H,1-3H3/b19-10+
InChIKeyXXBHIMNGMFUDRG-VXLYETTFSA-N
XLogP4.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.71
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 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol?
The IUPAC name of 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol (CID 71520132) is 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol.
What is the SMILES notation for 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol?
The canonical SMILES for 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol is Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol?
The InChIKey is XXBHIMNGMFUDRG-VXLYETTFSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11(2)15-9-16(12(3)8-17(15)20)19-10-13-4-6-14(18)7-5-13/h4-11,20H,1-3H3/b19-10+.
What are the key properties of 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol?
4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol has a molecular weight of 271.33 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 71520132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).