2,4-bis(methoxymethyl)-5-methylphenol

C11H16O3 — CID 176835467

IUPAC2,4-bis(methoxymethyl)-5-methylphenol
SMILESCOCc1cc(COC)c(O)cc1C
InChIInChI=1S/C11H16O3/c1-8-4-11(12)10(7-14-3)5-9(8)6-13-2/h4-5,12H,6-7H2,1-3H3
InChIKeyYLGIYBFEVOYQQC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.99
Rot. Bonds4

About 2,4-bis(methoxymethyl)-5-methylphenol

2,4-bis(methoxymethyl)-5-methylphenol (PubChem CID 176835467) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,4-bis(methoxymethyl)-5-methylphenol.

Molecular Properties

Compound Name2,4-bis(methoxymethyl)-5-methylphenol
PubChem CID176835467
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,4-bis(methoxymethyl)-5-methylphenol
SMILESCOCc1cc(COC)c(O)cc1C
InChIInChI=1S/C11H16O3/c1-8-4-11(12)10(7-14-3)5-9(8)6-13-2/h4-5,12H,6-7H2,1-3H3
InChIKeyYLGIYBFEVOYQQC-UHFFFAOYSA-N
XLogP1.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-bis(methoxymethyl)-5-methylphenol 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

[5-(methoxymethyl)-2,4-dimethylphenyl]phosphane
CID 20671495
3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol
CID 58599740
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
1,4-bis(methoxymethyl)-2-methylbenzene
CID 19879640
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol
CID 59672204
4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925792
3,6-dihydroxy-2-(methoxymethyl)anthracene-9,10-dione
CID 11580062
7-(methoxymethyl)-5-methyl-2,3-dihydro-1H-inden-4-ol
CID 121008460
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173
8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 57096083
(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone
CID 66635454

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methoxymethyl)-5-methylphenol?
The IUPAC name of 2,4-bis(methoxymethyl)-5-methylphenol (CID 176835467) is 2,4-bis(methoxymethyl)-5-methylphenol.
What is the SMILES notation for 2,4-bis(methoxymethyl)-5-methylphenol?
The canonical SMILES for 2,4-bis(methoxymethyl)-5-methylphenol is COCc1cc(COC)c(O)cc1C.
What is the InChIKey of 2,4-bis(methoxymethyl)-5-methylphenol?
The InChIKey is YLGIYBFEVOYQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-4-11(12)10(7-14-3)5-9(8)6-13-2/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 2,4-bis(methoxymethyl)-5-methylphenol?
2,4-bis(methoxymethyl)-5-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methoxymethyl)-5-methylphenol is sourced from PubChem (CID 176835467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).