2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol

C19H24O3 — CID 22085903

IUPAC2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol
SMILESCOCC(c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O
InChIInChI=1S/C19H24O3/c1-11-6-13(3)18(20)15(8-11)17(10-22-5)16-9-12(2)7-14(4)19(16)21/h6-9,17,20-21H,10H2,1-5H3
InChIKeyGGNJLTFWPDPJGP-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.11
Rot. Bonds4

About 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol

2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol (PubChem CID 22085903) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol
PubChem CID22085903
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol
SMILESCOCC(c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O
InChIInChI=1S/C19H24O3/c1-11-6-13(3)18(20)15(8-11)17(10-22-5)16-9-12(2)7-14(4)19(16)21/h6-9,17,20-21H,10H2,1-5H3
InChIKeyGGNJLTFWPDPJGP-UHFFFAOYSA-N
XLogP4.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol?
The IUPAC name of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol (CID 22085903) is 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol is COCC(c1cc(C)cc(C)c1O)c1cc(C)cc(C)c1O.
What is the InChIKey of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol?
The InChIKey is GGNJLTFWPDPJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-11-6-13(3)18(20)15(8-11)17(10-22-5)16-9-12(2)7-14(4)19(16)21/h6-9,17,20-21H,10H2,1-5H3.
What are the key properties of 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol?
2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol has a molecular weight of 300.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol is sourced from PubChem (CID 22085903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).