2-(2,4-dimethoxyphenyl)propane-1,2-diol

C11H16O4 — CID 82713060

IUPAC2-(2,4-dimethoxyphenyl)propane-1,2-diol
SMILESCOc1ccc(C(C)(O)CO)c(OC)c1
InChIInChI=1S/C11H16O4/c1-11(13,7-12)9-5-4-8(14-2)6-10(9)15-3/h4-6,12-13H,7H2,1-3H3
InChIKeyXLLBLFVXBJYZFU-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.90
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)propane-1,2-diol

2-(2,4-dimethoxyphenyl)propane-1,2-diol (PubChem CID 82713060) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)propane-1,2-diol
PubChem CID82713060
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name2-(2,4-dimethoxyphenyl)propane-1,2-diol
SMILESCOc1ccc(C(C)(O)CO)c(OC)c1
InChIInChI=1S/C11H16O4/c1-11(13,7-12)9-5-4-8(14-2)6-10(9)15-3/h4-6,12-13H,7H2,1-3H3
InChIKeyXLLBLFVXBJYZFU-UHFFFAOYSA-N
XLogP0.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
2-(2,4-dimethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62774366
3-(2,4-dimethoxyphenyl)pentan-3-ol
CID 62801128
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
ethyl 4-(2,4-dimethoxyphenyl)-4-hydroxypentanoate
CID 66322325
2-(2,4-dimethoxyphenyl)-2-hydroxypropanamide
CID 62215379
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633
3-(2,4-dimethoxyphenyl)-2-methylpentan-3-ol
CID 62801618
2-[(2,4-dimethoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 94687748
2-(2,4-dimethoxyphenyl)-1-methoxypropan-2-amine
CID 62801794
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
1-(1,1-difluoropropyl)-2,4-dimethoxybenzene
CID 116841246

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)propane-1,2-diol?
The IUPAC name of 2-(2,4-dimethoxyphenyl)propane-1,2-diol (CID 82713060) is 2-(2,4-dimethoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)propane-1,2-diol?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)propane-1,2-diol is COc1ccc(C(C)(O)CO)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)propane-1,2-diol?
The InChIKey is XLLBLFVXBJYZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-11(13,7-12)9-5-4-8(14-2)6-10(9)15-3/h4-6,12-13H,7H2,1-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)propane-1,2-diol?
2-(2,4-dimethoxyphenyl)propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 82713060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).