4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol

C16H19NO4 — CID 107700768

IUPAC4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2ccc(C)c(O)c2)cc(OC)c1O
InChIInChI=1S/C16H19NO4/c1-10-4-5-12(8-13(10)18)17-9-11-6-14(20-2)16(19)15(7-11)21-3/h4-8,17-19H,9H2,1-3H3
InChIKeyYSEPRQNPMOJLHV-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.04
Rot. Bonds5

About 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol

4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol (PubChem CID 107700768) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
PubChem CID107700768
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2ccc(C)c(O)c2)cc(OC)c1O
InChIInChI=1S/C16H19NO4/c1-10-4-5-12(8-13(10)18)17-9-11-6-14(20-2)16(19)15(7-11)21-3/h4-8,17-19H,9H2,1-3H3
InChIKeyYSEPRQNPMOJLHV-UHFFFAOYSA-N
XLogP3.04
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-[(3-hydroxy-4-methylanilino)methyl]-6-methoxyphenol
CID 107700951
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol
CID 107741199
4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
CID 28615702
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83454430
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 60931968
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol (CID 107700768) is 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol is COc1cc(CNc2ccc(C)c(O)c2)cc(OC)c1O.
What is the InChIKey of 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol?
The InChIKey is YSEPRQNPMOJLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-4-5-12(8-13(10)18)17-9-11-6-14(20-2)16(19)15(7-11)21-3/h4-8,17-19H,9H2,1-3H3.
What are the key properties of 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol?
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol has a molecular weight of 289.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 107700768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).