2,4-bis(hydroxymethyl)-3,5-dimethylphenol

C10H14O3 — CID 71367739

IUPAC2,4-bis(hydroxymethyl)-3,5-dimethylphenol
SMILESCc1cc(O)c(CO)c(C)c1CO
InChIInChI=1S/C10H14O3/c1-6-3-10(13)9(5-12)7(2)8(6)4-11/h3,11-13H,4-5H2,1-2H3
InChIKeyXUUSEXAKAGXSJX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.99
Rot. Bonds2

About 2,4-bis(hydroxymethyl)-3,5-dimethylphenol

2,4-bis(hydroxymethyl)-3,5-dimethylphenol (PubChem CID 71367739) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2,4-bis(hydroxymethyl)-3,5-dimethylphenol.

Molecular Properties

Compound Name2,4-bis(hydroxymethyl)-3,5-dimethylphenol
PubChem CID71367739
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2,4-bis(hydroxymethyl)-3,5-dimethylphenol
SMILESCc1cc(O)c(CO)c(C)c1CO
InChIInChI=1S/C10H14O3/c1-6-3-10(13)9(5-12)7(2)8(6)4-11/h3,11-13H,4-5H2,1-2H3
InChIKeyXUUSEXAKAGXSJX-UHFFFAOYSA-N
XLogP0.99
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(hydroxymethyl)-3,5-dimethylphenol?
The IUPAC name of 2,4-bis(hydroxymethyl)-3,5-dimethylphenol (CID 71367739) is 2,4-bis(hydroxymethyl)-3,5-dimethylphenol.
What is the SMILES notation for 2,4-bis(hydroxymethyl)-3,5-dimethylphenol?
The canonical SMILES for 2,4-bis(hydroxymethyl)-3,5-dimethylphenol is Cc1cc(O)c(CO)c(C)c1CO.
What is the InChIKey of 2,4-bis(hydroxymethyl)-3,5-dimethylphenol?
The InChIKey is XUUSEXAKAGXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6-3-10(13)9(5-12)7(2)8(6)4-11/h3,11-13H,4-5H2,1-2H3.
What are the key properties of 2,4-bis(hydroxymethyl)-3,5-dimethylphenol?
2,4-bis(hydroxymethyl)-3,5-dimethylphenol has a molecular weight of 182.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(hydroxymethyl)-3,5-dimethylphenol is sourced from PubChem (CID 71367739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).