2,4-bis(hydroxymethyl)-5-propylphenol

C11H16O3 — CID 20528682

IUPAC2,4-bis(hydroxymethyl)-5-propylphenol
SMILESCCCc1cc(O)c(CO)cc1CO
InChIInChI=1S/C11H16O3/c1-2-3-8-5-11(14)10(7-13)4-9(8)6-12/h4-5,12-14H,2-3,6-7H2,1H3
InChIKeySIPJMVSQZQTYAJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.33
Rot. Bonds4

About 2,4-bis(hydroxymethyl)-5-propylphenol

2,4-bis(hydroxymethyl)-5-propylphenol (PubChem CID 20528682) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,4-bis(hydroxymethyl)-5-propylphenol.

Molecular Properties

Compound Name2,4-bis(hydroxymethyl)-5-propylphenol
PubChem CID20528682
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,4-bis(hydroxymethyl)-5-propylphenol
SMILESCCCc1cc(O)c(CO)cc1CO
InChIInChI=1S/C11H16O3/c1-2-3-8-5-11(14)10(7-13)4-9(8)6-12/h4-5,12-14H,2-3,6-7H2,1H3
InChIKeySIPJMVSQZQTYAJ-UHFFFAOYSA-N
XLogP1.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,4-bis(hydroxymethyl)-5-propylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(hydroxymethyl)-5-propylphenol?
The IUPAC name of 2,4-bis(hydroxymethyl)-5-propylphenol (CID 20528682) is 2,4-bis(hydroxymethyl)-5-propylphenol.
What is the SMILES notation for 2,4-bis(hydroxymethyl)-5-propylphenol?
The canonical SMILES for 2,4-bis(hydroxymethyl)-5-propylphenol is CCCc1cc(O)c(CO)cc1CO.
What is the InChIKey of 2,4-bis(hydroxymethyl)-5-propylphenol?
The InChIKey is SIPJMVSQZQTYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-3-8-5-11(14)10(7-13)4-9(8)6-12/h4-5,12-14H,2-3,6-7H2,1H3.
What are the key properties of 2,4-bis(hydroxymethyl)-5-propylphenol?
2,4-bis(hydroxymethyl)-5-propylphenol has a molecular weight of 196.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(hydroxymethyl)-5-propylphenol is sourced from PubChem (CID 20528682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).