2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol

C19H25NO3 — CID 90747803

IUPAC2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol
SMILESCOc1c(C)c(C)c(-c2c(C)c(C)c(O)c(N)c2C)c(C)c1O
InChIInChI=1S/C19H25NO3/c1-8-10(3)17(21)16(20)12(5)14(8)15-9(2)11(4)19(23-7)18(22)13(15)6/h21-22H,20H2,1-7H3
InChIKeyRLBMKAUVQPATNS-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.21
Rot. Bonds2

About 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol

2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol (PubChem CID 90747803) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol
PubChem CID90747803
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol
SMILESCOc1c(C)c(C)c(-c2c(C)c(C)c(O)c(N)c2C)c(C)c1O
InChIInChI=1S/C19H25NO3/c1-8-10(3)17(21)16(20)12(5)14(8)15-9(2)11(4)19(23-7)18(22)13(15)6/h21-22H,20H2,1-7H3
InChIKeyRLBMKAUVQPATNS-UHFFFAOYSA-N
XLogP4.21
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2,5,6-trimethylbenzene-1,3-diol
CID 154393157
2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817257
2-methoxy-4,6-dimethylbenzene-1,3,5-triol
CID 86718657
2,3,5-triamino-6-methylbenzene-1,4-diol
CID 163832497
2-amino-3-chloro-5-methoxy-4,6-dimethylphenol
CID 84670347
2,4,6-trimethoxybenzene-1,3,5-triol
CID 102382483
methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate
CID 84689679
2-methoxy-1-(2-methoxy-3,4,5,6,7,8-hexamethylnaphthalen-1-yl)-3,4,5,6,7,8-hexamethylnaphthalene;1-methoxy-2-(2-methoxy-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 91034834
2-methoxy-3,5-dimethylbenzene-1,4-diol;2-methoxy-3,5,6-trimethylbenzene-1,4-diol
CID 19817256
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
2-chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
5,7-dihydroxy-6-methoxy-4-methyl-3H-2-benzofuran-1-one
CID 156582406

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol?
The IUPAC name of 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol (CID 90747803) is 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol.
What is the SMILES notation for 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol?
The canonical SMILES for 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol is COc1c(C)c(C)c(-c2c(C)c(C)c(O)c(N)c2C)c(C)c1O.
What is the InChIKey of 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol?
The InChIKey is RLBMKAUVQPATNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-8-10(3)17(21)16(20)12(5)14(8)15-9(2)11(4)19(23-7)18(22)13(15)6/h21-22H,20H2,1-7H3.
What are the key properties of 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol?
2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol has a molecular weight of 315.41 g/mol, XLogP of 4.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxy-4-methoxy-2,5,6-trimethylphenyl)-3,5,6-trimethylphenol is sourced from PubChem (CID 90747803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).