(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol

C11H16O4 — CID 58551347

IUPAC(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
SMILESCOc1cc(C)ccc1OC[C@H](O)CO
InChIInChI=1S/C11H16O4/c1-8-3-4-10(11(5-8)14-2)15-7-9(13)6-12/h3-5,9,12-13H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyDIFXPMBGADBOPD-SECBINFHSA-N
MW212.25 g/mol
LogP0.74
Rot. Bonds5

About (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol

(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol (PubChem CID 58551347) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
PubChem CID58551347
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
SMILESCOc1cc(C)ccc1OC[C@H](O)CO
InChIInChI=1S/C11H16O4/c1-8-3-4-10(11(5-8)14-2)15-7-9(13)6-12/h3-5,9,12-13H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyDIFXPMBGADBOPD-SECBINFHSA-N
XLogP0.74
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]propane-1,2-diol
CID 82849372
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115475920
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 20839076
3-[2-(difluoromethyl)-4-methylphenoxy]propane-1,2-diol;ethane
CID 143922377
1-cyclohexyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 104753531
3-(2-methoxy-4-methylphenoxy)-2-(propylamino)propan-1-ol
CID 64805164
3-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849672
1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol?
The IUPAC name of (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol (CID 58551347) is (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol?
The canonical SMILES for (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol is COc1cc(C)ccc1OC[C@H](O)CO.
What is the InChIKey of (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol?
The InChIKey is DIFXPMBGADBOPD-SECBINFHSA-N. The full InChI is InChI=1S/C11H16O4/c1-8-3-4-10(11(5-8)14-2)15-7-9(13)6-12/h3-5,9,12-13H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol?
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol is sourced from PubChem (CID 58551347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).