2-(2-hydroxy-5-propylphenyl)-4-propylphenol

C18H22O2 — CID 5321851

IUPAC2-(2-hydroxy-5-propylphenyl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1
InChIInChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
InChIKeyOYAQUBKYAKSHOA-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.67
Rot. Bonds5

About 2-(2-hydroxy-5-propylphenyl)-4-propylphenol

2-(2-hydroxy-5-propylphenyl)-4-propylphenol (PubChem CID 5321851) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2-hydroxy-5-propylphenyl)-4-propylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-5-propylphenyl)-4-propylphenol
PubChem CID5321851
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(2-hydroxy-5-propylphenyl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1
InChIInChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3
InChIKeyOYAQUBKYAKSHOA-UHFFFAOYSA-N
XLogP4.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-propylphenyl)-4-propylphenol?
The IUPAC name of 2-(2-hydroxy-5-propylphenyl)-4-propylphenol (CID 5321851) is 2-(2-hydroxy-5-propylphenyl)-4-propylphenol.
What is the SMILES notation for 2-(2-hydroxy-5-propylphenyl)-4-propylphenol?
The canonical SMILES for 2-(2-hydroxy-5-propylphenyl)-4-propylphenol is CCCc1ccc(O)c(-c2cc(CCC)ccc2O)c1.
What is the InChIKey of 2-(2-hydroxy-5-propylphenyl)-4-propylphenol?
The InChIKey is OYAQUBKYAKSHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3.
What are the key properties of 2-(2-hydroxy-5-propylphenyl)-4-propylphenol?
2-(2-hydroxy-5-propylphenyl)-4-propylphenol has a molecular weight of 270.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-propylphenyl)-4-propylphenol is sourced from PubChem (CID 5321851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).