2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol

C13H18O4 — CID 76682354

IUPAC2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol
SMILESCc1ccc(OC2CCC(O)C(CO)O2)cc1
InChIInChI=1S/C13H18O4/c1-9-2-4-10(5-3-9)16-13-7-6-11(15)12(8-14)17-13/h2-5,11-15H,6-8H2,1H3
InChIKeyZGHMHXKXMWINDV-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.23
Rot. Bonds3

About 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol

2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol (PubChem CID 76682354) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol
PubChem CID76682354
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol
SMILESCc1ccc(OC2CCC(O)C(CO)O2)cc1
InChIInChI=1S/C13H18O4/c1-9-2-4-10(5-3-9)16-13-7-6-11(15)12(8-14)17-13/h2-5,11-15H,6-8H2,1H3
InChIKeyZGHMHXKXMWINDV-UHFFFAOYSA-N
XLogP1.23
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide
CID 58061927
ethane;2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4-diol
CID 164565492
6-[4-[(Z)-hydrazinylidenemethyl]phenoxy]-2-(hydroxymethyl)oxan-3-ol
CID 88964930
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
CID 54321691
ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol
CID 142969500
(3R,4S,5S,6R)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58061940
N-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methylphenoxy)oxan-3-yl]acetamide
CID 124762777
[3,4-bis(4-methylphenoxy)-5-(2,4,4-trimethylhex-5-en-2-yl)oxolan-2-yl]methanol
CID 123323757
(2R,3S,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)-3,6-dihydro-2H-pyran-3-ol
CID 101460016
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
2-(4-methylphenoxy)oxan-3-ol
CID 22982055

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol?
The IUPAC name of 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol (CID 76682354) is 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol is Cc1ccc(OC2CCC(O)C(CO)O2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol?
The InChIKey is ZGHMHXKXMWINDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9-2-4-10(5-3-9)16-13-7-6-11(15)12(8-14)17-13/h2-5,11-15H,6-8H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol?
2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol has a molecular weight of 238.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol is sourced from PubChem (CID 76682354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).