2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol

C13H20O5 — CID 135039830

IUPAC2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol
SMILESCOc1cc(COC(C)(CO)CO)cc(OC)c1
InChIInChI=1S/C13H20O5/c1-13(8-14,9-15)18-7-10-4-11(16-2)6-12(5-10)17-3/h4-6,14-15H,7-9H2,1-3H3
InChIKeyXDKUJHPOQRUZCR-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.96
Rot. Bonds7

About 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol

2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol (PubChem CID 135039830) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol
PubChem CID135039830
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol
SMILESCOc1cc(COC(C)(CO)CO)cc(OC)c1
InChIInChI=1S/C13H20O5/c1-13(8-14,9-15)18-7-10-4-11(16-2)6-12(5-10)17-3/h4-6,14-15H,7-9H2,1-3H3
InChIKeyXDKUJHPOQRUZCR-UHFFFAOYSA-N
XLogP0.96
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol 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-[3-methoxy-5-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117322386
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 81150835
3-methoxy-5-(2-methylbutan-2-yloxymethyl)aniline
CID 81149908
2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 64549744
2-(3-ethyl-5-methoxyphenyl)-2-methylpropan-1-ol
CID 117297890
(3-tert-butyl-5-methoxyphenyl)methanol
CID 135139096
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
2-[(3,5-dimethoxyanilino)methyl]-2-methylbutan-1-ol
CID 81412194
1-[[4-[3-[2-[(3,5-dimethoxyphenyl)methoxy]ethoxy]-3-methylbutoxy]-4-methylhexoxy]methyl]-3,5-dimethoxybenzene
CID 123414097

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol (CID 135039830) is 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol is COc1cc(COC(C)(CO)CO)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol?
The InChIKey is XDKUJHPOQRUZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-13(8-14,9-15)18-7-10-4-11(16-2)6-12(5-10)17-3/h4-6,14-15H,7-9H2,1-3H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol?
2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol has a molecular weight of 256.30 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol is sourced from PubChem (CID 135039830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).