5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol

C11H16O4 — CID 170989943

IUPAC5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol
SMILESCOc1c(C)c(O)cc(C(C)O)c1CO
InChIInChI=1S/C11H16O4/c1-6-10(14)4-8(7(2)13)9(5-12)11(6)15-3/h4,7,12-14H,5H2,1-3H3
InChIKeyQXEPPUBFCAWFHK-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.25
Rot. Bonds3

About 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol

5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol (PubChem CID 170989943) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol
PubChem CID170989943
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol
SMILESCOc1c(C)c(O)cc(C(C)O)c1CO
InChIInChI=1S/C11H16O4/c1-6-10(14)4-8(7(2)13)9(5-12)11(6)15-3/h4,7,12-14H,5H2,1-3H3
InChIKeyQXEPPUBFCAWFHK-UHFFFAOYSA-N
XLogP1.25
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
CID 102196644
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
(2R,5S)-5-hydroxy-1-(4-hydroxy-2-methoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 162884147
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
(2,3-dimethoxy-6-propan-2-ylphenyl)methanol
CID 84677822
1-(5-ethyl-3-fluoro-2-methoxyphenyl)ethanol
CID 84668298
1-[5-[3,5-bis(1-hydroxyethyl)-4-methoxyphenoxy]-3-(1-hydroxyethyl)-2-methoxyphenyl]ethanol
CID 122629520
(2,3-dimethoxy-4,6-dimethylphenyl)methanol
CID 84666963
5-(hydroxymethyl)-3-methoxy-4-methylbenzene-1,2-diol
CID 91826699
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol?
The IUPAC name of 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol (CID 170989943) is 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol.
What is the SMILES notation for 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol?
The canonical SMILES for 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol is COc1c(C)c(O)cc(C(C)O)c1CO.
What is the InChIKey of 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol?
The InChIKey is QXEPPUBFCAWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-6-10(14)4-8(7(2)13)9(5-12)11(6)15-3/h4,7,12-14H,5H2,1-3H3.
What are the key properties of 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol?
5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol has a molecular weight of 212.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-4-(hydroxymethyl)-3-methoxy-2-methylphenol is sourced from PubChem (CID 170989943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).