[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene

C14H22O3 — CID 166487361

IUPAC[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
SMILESCOCC(C)(COC)COCc1ccccc1
InChIInChI=1S/C14H22O3/c1-14(10-15-2,11-16-3)12-17-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyRIZLEDGZQCCCJX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.50
Rot. Bonds8

About [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene

[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene (PubChem CID 166487361) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene.

Molecular Properties

Compound Name[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
PubChem CID166487361
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
SMILESCOCC(C)(COC)COCc1ccccc1
InChIInChI=1S/C14H22O3/c1-14(10-15-2,11-16-3)12-17-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKeyRIZLEDGZQCCCJX-UHFFFAOYSA-N
XLogP2.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene 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

2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
N-(2-methoxyethyl)-2-methyl-1-phenylmethoxypropan-2-amine
CID 131036808
2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
CID 15348373
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
ethane;phenylmethoxymethylbenzene
CID 90943549
N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940499
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene?
The IUPAC name of [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene (CID 166487361) is [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene.
What is the SMILES notation for [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene?
The canonical SMILES for [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene is COCC(C)(COC)COCc1ccccc1.
What is the InChIKey of [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene?
The InChIKey is RIZLEDGZQCCCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-14(10-15-2,11-16-3)12-17-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3.
What are the key properties of [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene?
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene has a molecular weight of 238.33 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene is sourced from PubChem (CID 166487361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).