(2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol

C11H16O4 — CID 10867593

IUPAC(2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol
SMILESCOc1ccc(COC[C@H](O)CO)cc1
InChIInChI=1S/C11H16O4/c1-14-11-4-2-9(3-5-11)7-15-8-10(13)6-12/h2-5,10,12-13H,6-8H2,1H3/t10-/m1/s1
InChIKeyMFKMOLJNQHPVHC-SNVBAGLBSA-N
MW212.25 g/mol
LogP0.56
Rot. Bonds6

About (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol

(2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol (PubChem CID 10867593) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol
PubChem CID10867593
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name(2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol
SMILESCOc1ccc(COC[C@H](O)CO)cc1
InChIInChI=1S/C11H16O4/c1-14-11-4-2-9(3-5-11)7-15-8-10(13)6-12/h2-5,10,12-13H,6-8H2,1H3/t10-/m1/s1
InChIKeyMFKMOLJNQHPVHC-SNVBAGLBSA-N
XLogP0.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol (CID 10867593) is (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol is COc1ccc(COC[C@H](O)CO)cc1.
What is the InChIKey of (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol?
The InChIKey is MFKMOLJNQHPVHC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16O4/c1-14-11-4-2-9(3-5-11)7-15-8-10(13)6-12/h2-5,10,12-13H,6-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol?
(2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(4-methoxyphenyl)methoxy]propane-1,2-diol is sourced from PubChem (CID 10867593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).