2-(4-hydroxy-3-propylphenyl)-6-propylphenol

C18H22O2 — CID 54407839

IUPAC2-(4-hydroxy-3-propylphenyl)-6-propylphenol
SMILESCCCc1cc(-c2cccc(CCC)c2O)ccc1O
InChIInChI=1S/C18H22O2/c1-3-6-13-8-5-9-16(18(13)20)14-10-11-17(19)15(12-14)7-4-2/h5,8-12,19-20H,3-4,6-7H2,1-2H3
InChIKeyVRZSMGKOIIRZDV-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.67
Rot. Bonds5

About 2-(4-hydroxy-3-propylphenyl)-6-propylphenol

2-(4-hydroxy-3-propylphenyl)-6-propylphenol (PubChem CID 54407839) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(4-hydroxy-3-propylphenyl)-6-propylphenol.

Molecular Properties

Compound Name2-(4-hydroxy-3-propylphenyl)-6-propylphenol
PubChem CID54407839
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-(4-hydroxy-3-propylphenyl)-6-propylphenol
SMILESCCCc1cc(-c2cccc(CCC)c2O)ccc1O
InChIInChI=1S/C18H22O2/c1-3-6-13-8-5-9-16(18(13)20)14-10-11-17(19)15(12-14)7-4-2/h5,8-12,19-20H,3-4,6-7H2,1-2H3
InChIKeyVRZSMGKOIIRZDV-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-(4-hydroxy-3-propylphenyl)-6-propylphenol?
The IUPAC name of 2-(4-hydroxy-3-propylphenyl)-6-propylphenol (CID 54407839) is 2-(4-hydroxy-3-propylphenyl)-6-propylphenol.
What is the SMILES notation for 2-(4-hydroxy-3-propylphenyl)-6-propylphenol?
The canonical SMILES for 2-(4-hydroxy-3-propylphenyl)-6-propylphenol is CCCc1cc(-c2cccc(CCC)c2O)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-propylphenyl)-6-propylphenol?
The InChIKey is VRZSMGKOIIRZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-6-13-8-5-9-16(18(13)20)14-10-11-17(19)15(12-14)7-4-2/h5,8-12,19-20H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(4-hydroxy-3-propylphenyl)-6-propylphenol?
2-(4-hydroxy-3-propylphenyl)-6-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-(4-hydroxy-3-propylphenyl)-6-propylphenol is sourced from PubChem (CID 54407839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).