2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol

C16H17NO4 — CID 135595493

IUPAC2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1ccc(OC)c(/N=C/c2cccc(OC)c2O)c1
InChIInChI=1S/C16H17NO4/c1-19-12-7-8-14(20-2)13(9-12)17-10-11-5-4-6-15(21-3)16(11)18/h4-10,18H,1-3H3/b17-10+
InChIKeyHCIBXKOSFGDJCH-LICLKQGHSA-N
MW287.32 g/mol
LogP3.17
Rot. Bonds5

About 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol

2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol (PubChem CID 135595493) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
PubChem CID135595493
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1ccc(OC)c(/N=C/c2cccc(OC)c2O)c1
InChIInChI=1S/C16H17NO4/c1-19-12-7-8-14(20-2)13(9-12)17-10-11-5-4-6-15(21-3)16(11)18/h4-10,18H,1-3H3/b17-10+
InChIKeyHCIBXKOSFGDJCH-LICLKQGHSA-N
XLogP3.17
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
2,4-dichloro-6-[(2,5-dimethoxyphenyl)iminomethyl]phenol
CID 710294
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
CID 4120706
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
2-methoxy-6-[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 135595546
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol (CID 135595493) is 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol is COc1ccc(OC)c(/N=C/c2cccc(OC)c2O)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is HCIBXKOSFGDJCH-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-12-7-8-14(20-2)13(9-12)17-10-11-5-4-6-15(21-3)16(11)18/h4-10,18H,1-3H3/b17-10+.
What are the key properties of 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol?
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 287.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135595493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).