4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol

C16H17NO2 — CID 620472

IUPAC4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/c2cc(C)ccc2C)ccc1O
InChIInChI=1S/C16H17NO2/c1-11-4-5-12(2)14(8-11)17-10-13-6-7-15(18)16(9-13)19-3/h4-10,18H,1-3H3/b17-10+
InChIKeyBZTDQYJCKYTHMO-LICLKQGHSA-N
MW255.32 g/mol
LogP3.77
Rot. Bonds3

About 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol

4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol (PubChem CID 620472) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
PubChem CID620472
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/c2cc(C)ccc2C)ccc1O
InChIInChI=1S/C16H17NO2/c1-11-4-5-12(2)14(8-11)17-10-13-6-7-15(18)16(9-13)19-3/h4-10,18H,1-3H3/b17-10+
InChIKeyBZTDQYJCKYTHMO-LICLKQGHSA-N
XLogP3.77
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.77
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

4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515
2-methoxy-4-[[4-methyl-3-[(4-methylphenyl)diazenyl]phenyl]iminomethyl]phenol
CID 3284679
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
(2S)-2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenoxy]propanoic acid
CID 126016677
4-[(4-fluorophenyl)iminomethyl]-2-methoxyphenol
CID 693204
2-[4-[(2,5-dimethylphenyl)iminomethyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 126206250
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 137168706
4-[(4-bromo-3-chlorophenyl)iminomethyl]-2-methoxyphenol
CID 681301
(E)-1-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
CID 39381963
4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol?
The IUPAC name of 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol (CID 620472) is 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol is COc1cc(/C=N/c2cc(C)ccc2C)ccc1O.
What is the InChIKey of 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol?
The InChIKey is BZTDQYJCKYTHMO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-4-5-12(2)14(8-11)17-10-13-6-7-15(18)16(9-13)19-3/h4-10,18H,1-3H3/b17-10+.
What are the key properties of 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol?
4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol has a molecular weight of 255.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)iminomethyl]-2-methoxyphenol is sourced from PubChem (CID 620472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).