2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol

C11H16O4 — CID 139983063

IUPAC2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol
SMILESCOC(C)c1cc(CO)cc(CO)c1O
InChIInChI=1S/C11H16O4/c1-7(15-2)10-4-8(5-12)3-9(6-13)11(10)14/h3-4,7,12-14H,5-6H2,1-2H3
InChIKeyJLQQXCFSUYZIDN-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.08
Rot. Bonds4

About 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol

2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol (PubChem CID 139983063) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol.

Molecular Properties

Compound Name2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol
PubChem CID139983063
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol
SMILESCOC(C)c1cc(CO)cc(CO)c1O
InChIInChI=1S/C11H16O4/c1-7(15-2)10-4-8(5-12)3-9(6-13)11(10)14/h3-4,7,12-14H,5-6H2,1-2H3
InChIKeyJLQQXCFSUYZIDN-UHFFFAOYSA-N
XLogP1.08
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol?
The IUPAC name of 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol (CID 139983063) is 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol.
What is the SMILES notation for 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol?
The canonical SMILES for 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol is COC(C)c1cc(CO)cc(CO)c1O.
What is the InChIKey of 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol?
The InChIKey is JLQQXCFSUYZIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(15-2)10-4-8(5-12)3-9(6-13)11(10)14/h3-4,7,12-14H,5-6H2,1-2H3.
What are the key properties of 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol?
2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol has a molecular weight of 212.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol is sourced from PubChem (CID 139983063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).