2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol

C18H21NO — CID 167081511

IUPAC2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol
SMILESCCC(C)/C(=N\c1ccccc1C)c1ccccc1O
InChIInChI=1S/C18H21NO/c1-4-13(2)18(15-10-6-8-12-17(15)20)19-16-11-7-5-9-14(16)3/h5-13,20H,4H2,1-3H3/b19-18+
InChIKeyIZIYIQVJRMSJJI-VHEBQXMUSA-N
MW267.37 g/mol
LogP4.87
Rot. Bonds4

About 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol

2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol (PubChem CID 167081511) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol
PubChem CID167081511
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol
SMILESCCC(C)/C(=N\c1ccccc1C)c1ccccc1O
InChIInChI=1S/C18H21NO/c1-4-13(2)18(15-10-6-8-12-17(15)20)19-16-11-7-5-9-14(16)3/h5-13,20H,4H2,1-3H3/b19-18+
InChIKeyIZIYIQVJRMSJJI-VHEBQXMUSA-N
XLogP4.87
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.87
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 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol?
The IUPAC name of 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol (CID 167081511) is 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol.
What is the SMILES notation for 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol?
The canonical SMILES for 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol is CCC(C)/C(=N\c1ccccc1C)c1ccccc1O.
What is the InChIKey of 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol?
The InChIKey is IZIYIQVJRMSJJI-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-13(2)18(15-10-6-8-12-17(15)20)19-16-11-7-5-9-14(16)3/h5-13,20H,4H2,1-3H3/b19-18+.
What are the key properties of 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol?
2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-butan-2-yl-N-(2-methylphenyl)carbonimidoyl]phenol is sourced from PubChem (CID 167081511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).