2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol

C17H20O3 — CID 129115928

IUPAC2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol
SMILESCOc1c(C)cc(O)c(-c2c(C)cc(C)cc2O)c1C
InChIInChI=1S/C17H20O3/c1-9-6-10(2)15(13(18)7-9)16-12(4)17(20-5)11(3)8-14(16)19/h6-8,18-19H,1-5H3
InChIKeyNSTWRIHKVKOTBZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.01
Rot. Bonds2

About 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol

2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol (PubChem CID 129115928) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol
PubChem CID129115928
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol
SMILESCOc1c(C)cc(O)c(-c2c(C)cc(C)cc2O)c1C
InChIInChI=1S/C17H20O3/c1-9-6-10(2)15(13(18)7-9)16-12(4)17(20-5)11(3)8-14(16)19/h6-8,18-19H,1-5H3
InChIKeyNSTWRIHKVKOTBZ-UHFFFAOYSA-N
XLogP4.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol?
The IUPAC name of 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol (CID 129115928) is 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol.
What is the SMILES notation for 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol?
The canonical SMILES for 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol is COc1c(C)cc(O)c(-c2c(C)cc(C)cc2O)c1C.
What is the InChIKey of 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol?
The InChIKey is NSTWRIHKVKOTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-9-6-10(2)15(13(18)7-9)16-12(4)17(20-5)11(3)8-14(16)19/h6-8,18-19H,1-5H3.
What are the key properties of 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol?
2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol has a molecular weight of 272.34 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4,6-dimethylphenyl)-4-methoxy-3,5-dimethylphenol is sourced from PubChem (CID 129115928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).