4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol

C15H17NO4 — CID 43743646

IUPAC4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
SMILESCOc1ccc(NCc2ccc(O)c(OC)c2)cc1O
InChIInChI=1S/C15H17NO4/c1-19-14-6-4-11(8-13(14)18)16-9-10-3-5-12(17)15(7-10)20-2/h3-8,16-18H,9H2,1-2H3
InChIKeyWELGCYDYSCREIY-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.73
Rot. Bonds5

About 4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol

4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol (PubChem CID 43743646) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
PubChem CID43743646
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
SMILESCOc1ccc(NCc2ccc(O)c(OC)c2)cc1O
InChIInChI=1S/C15H17NO4/c1-19-14-6-4-11(8-13(14)18)16-9-10-3-5-12(17)15(7-10)20-2/h3-8,16-18H,9H2,1-2H3
InChIKeyWELGCYDYSCREIY-UHFFFAOYSA-N
XLogP2.73
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
CID 43743650
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
CID 39371639
5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43722167
2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
CID 62809836
4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 114254373
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
4-[(3,5-dichloro-4-fluoroanilino)methyl]-2-methoxyphenol
CID 107572501
3-[(4-hydroxy-3-methoxyphenyl)methylamino]benzoic acid
CID 43217223
5-[(4-ethoxy-3-fluoroanilino)methyl]-2-methoxyphenol
CID 115587231

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol (CID 43743646) is 4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol is COc1ccc(NCc2ccc(O)c(OC)c2)cc1O.
What is the InChIKey of 4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol?
The InChIKey is WELGCYDYSCREIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-19-14-6-4-11(8-13(14)18)16-9-10-3-5-12(17)15(7-10)20-2/h3-8,16-18H,9H2,1-2H3.
What are the key properties of 4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol?
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol has a molecular weight of 275.30 g/mol, XLogP of 2.73, 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-methoxyanilino)methyl]-2-methoxyphenol is sourced from PubChem (CID 43743646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).