2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol

C11H16O4 — CID 175332290

IUPAC2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
SMILESOCc1ccc(OCC(CO)CO)cc1
InChIInChI=1S/C11H16O4/c12-5-9-1-3-11(4-2-9)15-8-10(6-13)7-14/h1-4,10,12-14H,5-8H2
InChIKeyNWBFHTAPZKSSFC-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.16
Rot. Bonds6

About 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol

2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol (PubChem CID 175332290) has the molecular formula C11H16O4 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
PubChem CID175332290
Molecular FormulaC11H16O4
Molecular Weight212.25 g/mol
Exact Mass212.10
IUPAC Name2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol
SMILESOCc1ccc(OCC(CO)CO)cc1
InChIInChI=1S/C11H16O4/c12-5-9-1-3-11(4-2-9)15-8-10(6-13)7-14/h1-4,10,12-14H,5-8H2
InChIKeyNWBFHTAPZKSSFC-UHFFFAOYSA-N
XLogP0.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(hydroxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64810173
[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol
CID 118229829
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
2-(ethylamino)-3-[4-(hydroxymethyl)phenoxy]propan-1-ol
CID 64808726
methyl 2-amino-3-[4-[3-hydroxy-2-(hydroxymethyl)propoxy]phenyl]propanoate
CID 59552371
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-(fluoromethoxy)phenyl]methanol
CID 54255227
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981
[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
CID 19261739
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
N'-hydroxy-3-[4-(hydroxymethyl)phenoxy]-2-methylpropanimidamide
CID 114987511

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol?
The IUPAC name of 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol (CID 175332290) is 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol is OCc1ccc(OCC(CO)CO)cc1.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol?
The InChIKey is NWBFHTAPZKSSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-5-9-1-3-11(4-2-9)15-8-10(6-13)7-14/h1-4,10,12-14H,5-8H2.
What are the key properties of 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol?
2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol has a molecular weight of 212.25 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)phenoxy]methyl]propane-1,3-diol is sourced from PubChem (CID 175332290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).