2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol

C13H20O4 — CID 94687748

IUPAC2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
SMILESCOc1ccc(CC(C)(CO)CO)c(OC)c1
InChIInChI=1S/C13H20O4/c1-13(8-14,9-15)7-10-4-5-11(16-2)6-12(10)17-3/h4-6,14-15H,7-9H2,1-3H3
InChIKeyAVCNLJWDKABVBN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.24
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol

2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol (PubChem CID 94687748) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
PubChem CID94687748
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
SMILESCOc1ccc(CC(C)(CO)CO)c(OC)c1
InChIInChI=1S/C13H20O4/c1-13(8-14,9-15)7-10-4-5-11(16-2)6-12(10)17-3/h4-6,14-15H,7-9H2,1-3H3
InChIKeyAVCNLJWDKABVBN-UHFFFAOYSA-N
XLogP1.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
1-(2,2-dimethylpropyl)-2,4-dimethoxybenzene;methane
CID 158953080
1-[3-(2,4-dimethoxyphenyl)-2-fluoro-2-methylpropyl]-2,4-dimethoxybenzene
CID 175463366
1-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 112501230
2-cyano-3-(2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 82131291
2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbutan-1-ol
CID 66057917
(2S)-2-amino-3-(2,4-dimethoxyphenyl)-2-methylpropanenitrile;hydrochloride
CID 141395494
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 107845955
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 104666985

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol (CID 94687748) is 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol is COc1ccc(CC(C)(CO)CO)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol?
The InChIKey is AVCNLJWDKABVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-13(8-14,9-15)7-10-4-5-11(16-2)6-12(10)17-3/h4-6,14-15H,7-9H2,1-3H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol?
2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol has a molecular weight of 240.30 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 94687748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).