2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol

C18H21NO2 — CID 176997872

IUPAC2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol
SMILESCOc1cc(O)c(/C=N/Cc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C18H21NO2/c1-13(2)16-9-15(21-3)10-18(20)17(16)12-19-11-14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3/b19-12+
InChIKeyVEPKBOSWLROAAB-XDHOZWIPSA-N
MW283.37 g/mol
LogP4.14
Rot. Bonds5

About 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol

2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol (PubChem CID 176997872) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol
PubChem CID176997872
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol
SMILESCOc1cc(O)c(/C=N/Cc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C18H21NO2/c1-13(2)16-9-15(21-3)10-18(20)17(16)12-19-11-14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3/b19-12+
InChIKeyVEPKBOSWLROAAB-XDHOZWIPSA-N
XLogP4.14
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol
CID 176998542
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol
CID 176998472
3-(benzyliminomethyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 136711770
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol
CID 136947963
(5E)-3-(benzyliminomethyl)-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
CID 135802020
2-[(3-chlorophenyl)methyliminomethyl]-4-methoxyphenol
CID 135595429
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol
CID 176997824
6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4783672
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol
CID 176997876

Frequently Asked Questions

What is the IUPAC name of 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol?
The IUPAC name of 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol (CID 176997872) is 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol.
What is the SMILES notation for 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol?
The canonical SMILES for 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol is COc1cc(O)c(/C=N/Cc2ccccc2)c(C(C)C)c1.
What is the InChIKey of 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol?
The InChIKey is VEPKBOSWLROAAB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)16-9-15(21-3)10-18(20)17(16)12-19-11-14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3/b19-12+.
What are the key properties of 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol?
2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol has a molecular weight of 283.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol is sourced from PubChem (CID 176997872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).