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

C12H18O4 — CID 71658646

IUPAC5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol
SMILESCOCc1c(C(C)O)cc(O)c(C)c1OC
InChIInChI=1S/C12H18O4/c1-7-11(14)5-9(8(2)13)10(6-15-3)12(7)16-4/h5,8,13-14H,6H2,1-4H3
InChIKeyVGUIDVOAJKITDB-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.91
Rot. Bonds4

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

5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol (PubChem CID 71658646) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol
PubChem CID71658646
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol
SMILESCOCc1c(C(C)O)cc(O)c(C)c1OC
InChIInChI=1S/C12H18O4/c1-7-11(14)5-9(8(2)13)10(6-15-3)12(7)16-4/h5,8,13-14H,6H2,1-4H3
InChIKeyVGUIDVOAJKITDB-UHFFFAOYSA-N
XLogP1.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol?
The IUPAC name of 5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol (CID 71658646) is 5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol.
What is the SMILES notation for 5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol?
The canonical SMILES for 5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol is COCc1c(C(C)O)cc(O)c(C)c1OC.
What is the InChIKey of 5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol?
The InChIKey is VGUIDVOAJKITDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-7-11(14)5-9(8(2)13)10(6-15-3)12(7)16-4/h5,8,13-14H,6H2,1-4H3.
What are the key properties of 5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol?
5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol has a molecular weight of 226.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol is sourced from PubChem (CID 71658646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).