(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol

C10H14O4 — CID 51666215

IUPAC(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
SMILESCOc1ccc(OC)c([C@@H](O)CO)c1
InChIInChI=1S/C10H14O4/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,11-12H,6H2,1-2H3/t9-/m0/s1
InChIKeyVNNWBKGUIXDGLA-VIFPVBQESA-N
MW198.22 g/mol
LogP0.73
Rot. Bonds4

About (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol

(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol (PubChem CID 51666215) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
PubChem CID51666215
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
SMILESCOc1ccc(OC)c([C@@H](O)CO)c1
InChIInChI=1S/C10H14O4/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,11-12H,6H2,1-2H3/t9-/m0/s1
InChIKeyVNNWBKGUIXDGLA-VIFPVBQESA-N
XLogP0.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693
3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629921
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
CID 60969431
1-(2,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 61100911

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol?
The IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol (CID 51666215) is (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol.
What is the SMILES notation for (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol?
The canonical SMILES for (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol is COc1ccc(OC)c([C@@H](O)CO)c1.
What is the InChIKey of (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol?
The InChIKey is VNNWBKGUIXDGLA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14O4/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,11-12H,6H2,1-2H3/t9-/m0/s1.
What are the key properties of (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol?
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol has a molecular weight of 198.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol is sourced from PubChem (CID 51666215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).