3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol

C18H21NO3 — CID 136506537

IUPAC3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol
SMILESCCCc1ccc(/N=C/c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C18H21NO3/c1-4-5-13-6-8-14(9-7-13)19-12-16-17(20)10-15(21-2)11-18(16)22-3/h6-12,20H,4-5H2,1-3H3/b19-12+
InChIKeyIUHZRSIMUUDLGB-XDHOZWIPSA-N
MW299.37 g/mol
LogP4.11
Rot. Bonds6

About 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol

3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol (PubChem CID 136506537) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol
PubChem CID136506537
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol
SMILESCCCc1ccc(/N=C/c2c(O)cc(OC)cc2OC)cc1
InChIInChI=1S/C18H21NO3/c1-4-5-13-6-8-14(9-7-13)19-12-16-17(20)10-15(21-2)11-18(16)22-3/h6-12,20H,4-5H2,1-3H3/b19-12+
InChIKeyIUHZRSIMUUDLGB-XDHOZWIPSA-N
XLogP4.11
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 137098219
2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
CID 136859318
2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
CID 135963051
2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
CID 136808100
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
2-[3-[2-[3-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-3,5-dimethoxyphenol;iron
CID 135456094
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
ethane;2-methoxy-4-propylphenol
CID 144852330
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
CID 136717021

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol?
The IUPAC name of 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol (CID 136506537) is 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol.
What is the SMILES notation for 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol?
The canonical SMILES for 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol is CCCc1ccc(/N=C/c2c(O)cc(OC)cc2OC)cc1.
What is the InChIKey of 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol?
The InChIKey is IUHZRSIMUUDLGB-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-5-13-6-8-14(9-7-13)19-12-16-17(20)10-15(21-2)11-18(16)22-3/h6-12,20H,4-5H2,1-3H3/b19-12+.
What are the key properties of 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol?
3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol has a molecular weight of 299.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-[(4-propylphenyl)iminomethyl]phenol is sourced from PubChem (CID 136506537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).