4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol

C17H19NO4 — CID 135504152

IUPAC4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol
SMILESCOc1ccc(C(O)C/N=C/c2ccc(O)cc2)cc1OC
InChIInChI=1S/C17H19NO4/c1-21-16-8-5-13(9-17(16)22-2)15(20)11-18-10-12-3-6-14(19)7-4-12/h3-10,15,19-20H,11H2,1-2H3/b18-10+
InChIKeyRQMVMXZQDXOPJV-VCHYOVAHSA-N
MW301.34 g/mol
LogP2.56
Rot. Bonds6

About 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol

4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol (PubChem CID 135504152) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol
PubChem CID135504152
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol
SMILESCOc1ccc(C(O)C/N=C/c2ccc(O)cc2)cc1OC
InChIInChI=1S/C17H19NO4/c1-21-16-8-5-13(9-17(16)22-2)15(20)11-18-10-12-3-6-14(19)7-4-12/h3-10,15,19-20H,11H2,1-2H3/b18-10+
InChIKeyRQMVMXZQDXOPJV-VCHYOVAHSA-N
XLogP2.56
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol
CID 3055484
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
4-[[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]methyl]benzene-1,3-diol
CID 10687095
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol?
The IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol (CID 135504152) is 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol?
The canonical SMILES for 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol is COc1ccc(C(O)C/N=C/c2ccc(O)cc2)cc1OC.
What is the InChIKey of 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol?
The InChIKey is RQMVMXZQDXOPJV-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-16-8-5-13(9-17(16)22-2)15(20)11-18-10-12-3-6-14(19)7-4-12/h3-10,15,19-20H,11H2,1-2H3/b18-10+.
What are the key properties of 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol?
4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol has a molecular weight of 301.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]iminomethyl]phenol is sourced from PubChem (CID 135504152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).