3-methyl-2-(propan-2-yliminomethyl)phenol

C11H15NO — CID 137212346

IUPAC3-methyl-2-(propan-2-yliminomethyl)phenol
SMILESCc1cccc(O)c1/C=N/C(C)C
InChIInChI=1S/C11H15NO/c1-8(2)12-7-10-9(3)5-4-6-11(10)13/h4-8,13H,1-3H3/b12-7+
InChIKeyWRPCLEKEXBHDIH-KPKJPENVSA-N
MW177.25 g/mol
LogP2.53
Rot. Bonds2

About 3-methyl-2-(propan-2-yliminomethyl)phenol

3-methyl-2-(propan-2-yliminomethyl)phenol (PubChem CID 137212346) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-methyl-2-(propan-2-yliminomethyl)phenol.

Molecular Properties

Compound Name3-methyl-2-(propan-2-yliminomethyl)phenol
PubChem CID137212346
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-methyl-2-(propan-2-yliminomethyl)phenol
SMILESCc1cccc(O)c1/C=N/C(C)C
InChIInChI=1S/C11H15NO/c1-8(2)12-7-10-9(3)5-4-6-11(10)13/h4-8,13H,1-3H3/b12-7+
InChIKeyWRPCLEKEXBHDIH-KPKJPENVSA-N
XLogP2.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
(E)-4-(2-hydroxy-6-methylphenyl)but-3-en-2-one
CID 131241877
N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine
CID 22483055
zinc 2-methylphenol
CID 10374903
ethane;2-methylphenol
CID 54326461
2-[2-(3,5-dimethylphenyl)ethenyl]-3-methylphenol
CID 141130983
1,3-dimethyl-2-[(Z)-prop-1-enyl]benzene;2-methylpropane
CID 143961291
hydrazine;2-methylphenol
CID 174667823
2-[(2,6-dimethylphenyl)methylideneamino]ethanol
CID 141084157
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816
1-[(2,6-dichlorophenyl)methylideneamino]ethanol
CID 56981300

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(propan-2-yliminomethyl)phenol?
The IUPAC name of 3-methyl-2-(propan-2-yliminomethyl)phenol (CID 137212346) is 3-methyl-2-(propan-2-yliminomethyl)phenol.
What is the SMILES notation for 3-methyl-2-(propan-2-yliminomethyl)phenol?
The canonical SMILES for 3-methyl-2-(propan-2-yliminomethyl)phenol is Cc1cccc(O)c1/C=N/C(C)C.
What is the InChIKey of 3-methyl-2-(propan-2-yliminomethyl)phenol?
The InChIKey is WRPCLEKEXBHDIH-KPKJPENVSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)12-7-10-9(3)5-4-6-11(10)13/h4-8,13H,1-3H3/b12-7+.
What are the key properties of 3-methyl-2-(propan-2-yliminomethyl)phenol?
3-methyl-2-(propan-2-yliminomethyl)phenol has a molecular weight of 177.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(propan-2-yliminomethyl)phenol is sourced from PubChem (CID 137212346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).