2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol

C18H19NO2 — CID 136835170

IUPAC2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol
SMILESC=C(CO)c1cc(C)cc(/C=N/c2ccc(C)cc2)c1O
InChIInChI=1S/C18H19NO2/c1-12-4-6-16(7-5-12)19-10-15-8-13(2)9-17(18(15)21)14(3)11-20/h4-10,20-21H,3,11H2,1-2H3/b19-10+
InChIKeyVXDLNEGMBIOPRX-VXLYETTFSA-N
MW281.35 g/mol
LogP3.77
Rot. Bonds4

About 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol

2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol (PubChem CID 136835170) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol
PubChem CID136835170
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol
SMILESC=C(CO)c1cc(C)cc(/C=N/c2ccc(C)cc2)c1O
InChIInChI=1S/C18H19NO2/c1-12-4-6-16(7-5-12)19-10-15-8-13(2)9-17(18(15)21)14(3)11-20/h4-10,20-21H,3,11H2,1-2H3/b19-10+
InChIKeyVXDLNEGMBIOPRX-VXLYETTFSA-N
XLogP3.77
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-5-methyl-3-[(4-methylphenyl)iminomethyl]phenyl]ethanone
CID 136760126
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
CID 136741770
2-iodo-4-methyl-6-(phenyliminomethyl)phenol
CID 135988546
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol
CID 1275213
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
CID 4630820
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
CID 2321774
4-methyl-2-(9-methylfluoren-9-yl)-6-(phenyliminomethyl)phenol
CID 135997437
4-benzyl-2-bromo-6-[(4-methylphenyl)iminomethyl]phenol
CID 3961983

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol?
The IUPAC name of 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol (CID 136835170) is 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol is C=C(CO)c1cc(C)cc(/C=N/c2ccc(C)cc2)c1O.
What is the InChIKey of 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol?
The InChIKey is VXDLNEGMBIOPRX-VXLYETTFSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-4-6-16(7-5-12)19-10-15-8-13(2)9-17(18(15)21)14(3)11-20/h4-10,20-21H,3,11H2,1-2H3/b19-10+.
What are the key properties of 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol?
2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol has a molecular weight of 281.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-en-2-yl)-4-methyl-6-[(4-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 136835170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).