2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol

C10H14O4 — CID 130036156

IUPAC2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol
SMILESCOc1cc(O)c(C(C)O)c(CO)c1
InChIInChI=1S/C10H14O4/c1-6(12)10-7(5-11)3-8(14-2)4-9(10)13/h3-4,6,11-13H,5H2,1-2H3
InChIKeyCOFOWFITOOLQNC-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.95
Rot. Bonds3

About 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol

2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol (PubChem CID 130036156) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol
PubChem CID130036156
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol
SMILESCOc1cc(O)c(C(C)O)c(CO)c1
InChIInChI=1S/C10H14O4/c1-6(12)10-7(5-11)3-8(14-2)4-9(10)13/h3-4,6,11-13H,5H2,1-2H3
InChIKeyCOFOWFITOOLQNC-UHFFFAOYSA-N
XLogP0.95
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxyethyl)-5-methoxy-3-methylphenol
CID 178064841
[2,3-bis(hydroxymethyl)-5-methoxyphenyl]methanol
CID 90759523
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378
1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
CID 170819085
(2,3-dibromo-5-methoxyphenyl)methanol
CID 171002427
1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol
CID 150637393
7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol
CID 131001186
4-methoxy-2,6-bis(methoxymethyl)phenol
CID 138470113
bis[2-(hydroxymethyl)-4,6-dimethoxyphenyl]-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]-methylphosphanium
CID 140870637
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-sulfanylpropane-1,2-diol
CID 170821135
[2-(1-aminoethyl)-5-methoxyphenyl]methanol
CID 130042307
1-[5-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117286314

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol?
The IUPAC name of 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol (CID 130036156) is 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol?
The canonical SMILES for 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol is COc1cc(O)c(C(C)O)c(CO)c1.
What is the InChIKey of 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol?
The InChIKey is COFOWFITOOLQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6(12)10-7(5-11)3-8(14-2)4-9(10)13/h3-4,6,11-13H,5H2,1-2H3.
What are the key properties of 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol?
2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol has a molecular weight of 198.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-3-(hydroxymethyl)-5-methoxyphenol is sourced from PubChem (CID 130036156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).