4-(hydroxymethyl)-2,6-dipropylphenol

C13H20O2 — CID 19080389

IUPAC4-(hydroxymethyl)-2,6-dipropylphenol
SMILESCCCc1cc(CO)cc(CCC)c1O
InChIInChI=1S/C13H20O2/c1-3-5-11-7-10(9-14)8-12(6-4-2)13(11)15/h7-8,14-15H,3-6,9H2,1-2H3
InChIKeyLPUXDXOGPQWBJM-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.79
Rot. Bonds5

About 4-(hydroxymethyl)-2,6-dipropylphenol

4-(hydroxymethyl)-2,6-dipropylphenol (PubChem CID 19080389) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,6-dipropylphenol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,6-dipropylphenol
PubChem CID19080389
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-(hydroxymethyl)-2,6-dipropylphenol
SMILESCCCc1cc(CO)cc(CCC)c1O
InChIInChI=1S/C13H20O2/c1-3-5-11-7-10(9-14)8-12(6-4-2)13(11)15/h7-8,14-15H,3-6,9H2,1-2H3
InChIKeyLPUXDXOGPQWBJM-UHFFFAOYSA-N
XLogP2.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,6-dipropylphenol?
The IUPAC name of 4-(hydroxymethyl)-2,6-dipropylphenol (CID 19080389) is 4-(hydroxymethyl)-2,6-dipropylphenol.
What is the SMILES notation for 4-(hydroxymethyl)-2,6-dipropylphenol?
The canonical SMILES for 4-(hydroxymethyl)-2,6-dipropylphenol is CCCc1cc(CO)cc(CCC)c1O.
What is the InChIKey of 4-(hydroxymethyl)-2,6-dipropylphenol?
The InChIKey is LPUXDXOGPQWBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-5-11-7-10(9-14)8-12(6-4-2)13(11)15/h7-8,14-15H,3-6,9H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2,6-dipropylphenol?
4-(hydroxymethyl)-2,6-dipropylphenol has a molecular weight of 208.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,6-dipropylphenol is sourced from PubChem (CID 19080389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).