3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol

C11H16O4 — CID 112612371

IUPAC3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
SMILESCc1cccc(CO)c1OCC(O)CO
InChIInChI=1S/C11H16O4/c1-8-3-2-4-9(5-12)11(8)15-7-10(14)6-13/h2-4,10,12-14H,5-7H2,1H3
InChIKeyIDRWYHLKWFMINF-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.22
Rot. Bonds5

About 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol

3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol (PubChem CID 112612371) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
PubChem CID112612371
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
SMILESCc1cccc(CO)c1OCC(O)CO
InChIInChI=1S/C11H16O4/c1-8-3-2-4-9(5-12)11(8)15-7-10(14)6-13/h2-4,10,12-14H,5-7H2,1H3
InChIKeyIDRWYHLKWFMINF-UHFFFAOYSA-N
XLogP0.22
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-3-[2-(hydroxymethyl)-6-methylphenoxy]propan-2-ol
CID 112612406
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
[2-[(2R)-2-aminopropoxy]-3-methylphenyl]methanol;oxalic acid
CID 171380777
3-[2-(hydroxymethyl)-6-methylphenoxy]butan-2-ol
CID 112612422
3-[4-(hydroxymethyl)-2,6-dimethylphenoxy]propane-1,2-diol
CID 82850178
(2-decoxy-3-methylphenyl)methanol
CID 115956202
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503
1-amino-3-(2,6-dimethylphenoxy)propan-2-ol;chloride;hydrate
CID 53314058
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
2-(3-amino-2-hydroxypropoxy)-3-methylphenol
CID 143628110

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol (CID 112612371) is 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol is Cc1cccc(CO)c1OCC(O)CO.
What is the InChIKey of 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol?
The InChIKey is IDRWYHLKWFMINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8-3-2-4-9(5-12)11(8)15-7-10(14)6-13/h2-4,10,12-14H,5-7H2,1H3.
What are the key properties of 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol?
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol has a molecular weight of 212.24 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol is sourced from PubChem (CID 112612371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).