4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol

C20H26O3 — CID 71170030

IUPAC4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol
SMILESCOCc1cc(C)c(C)c(Cc2cc(COC)cc(C)c2O)c1
InChIInChI=1S/C20H26O3/c1-13-6-16(11-22-4)8-18(15(13)3)10-19-9-17(12-23-5)7-14(2)20(19)21/h6-9,21H,10-12H2,1-5H3
InChIKeyPNJCTOUOVWSRRQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.20
Rot. Bonds6

About 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol

4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol (PubChem CID 71170030) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol
PubChem CID71170030
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol
SMILESCOCc1cc(C)c(C)c(Cc2cc(COC)cc(C)c2O)c1
InChIInChI=1S/C20H26O3/c1-13-6-16(11-22-4)8-18(15(13)3)10-19-9-17(12-23-5)7-14(2)20(19)21/h6-9,21H,10-12H2,1-5H3
InChIKeyPNJCTOUOVWSRRQ-UHFFFAOYSA-N
XLogP4.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol?
The IUPAC name of 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol (CID 71170030) is 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol.
What is the SMILES notation for 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol?
The canonical SMILES for 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol is COCc1cc(C)c(C)c(Cc2cc(COC)cc(C)c2O)c1.
What is the InChIKey of 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol?
The InChIKey is PNJCTOUOVWSRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-13-6-16(11-22-4)8-18(15(13)3)10-19-9-17(12-23-5)7-14(2)20(19)21/h6-9,21H,10-12H2,1-5H3.
What are the key properties of 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol?
4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol has a molecular weight of 314.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[[5-(methoxymethyl)-2,3-dimethylphenyl]methyl]-6-methylphenol is sourced from PubChem (CID 71170030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).