4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane

C14H20O6 — CID 175343133

IUPAC4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.COc1cc(CO)ccc1O
InChIInChI=1S/C8H10O3.C6H10O3/c1-11-8-4-6(5-9)2-3-7(8)10;1(5-3-8-5)7-2-6-4-9-6/h2-4,9-10H,5H2,1H3;5-6H,1-4H2
InChIKeyXTJJRGVGDZGERN-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.69
Rot. Bonds6

About 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane

4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 175343133) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID175343133
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.COc1cc(CO)ccc1O
InChIInChI=1S/C8H10O3.C6H10O3/c1-11-8-4-6(5-9)2-3-7(8)10;1(5-3-8-5)7-2-6-4-9-6/h2-4,9-10H,5H2,1H3;5-6H,1-4H2
InChIKeyXTJJRGVGDZGERN-UHFFFAOYSA-N
XLogP0.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
CID 66600810
acetic acid;butane-2,3-dione;4-(hydroxymethyl)-2-methoxyphenol
CID 175343442
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560
4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane
CID 66731296
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)
CID 118541193
(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane
CID 97180114
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
4-(4-hydroxy-2,3-dimethylphenyl)-2,3-dimethylphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 146291909
2-[[2,6-dimethoxy-4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 118245779

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 175343133) is 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.COc1cc(CO)ccc1O.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is XTJJRGVGDZGERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.C6H10O3/c1-11-8-4-6(5-9)2-3-7(8)10;1(5-3-8-5)7-2-6-4-9-6/h2-4,9-10H,5H2,1H3;5-6H,1-4H2.
What are the key properties of 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane?
4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 284.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 175343133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).