5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol

C18H22O2 — CID 139628527

IUPAC5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol
SMILESCCCCc1cc(O)c(C)cc1-c1ccc(O)c(C)c1
InChIInChI=1S/C18H22O2/c1-4-5-6-14-11-18(20)13(3)10-16(14)15-7-8-17(19)12(2)9-15/h7-11,19-20H,4-6H2,1-3H3
InChIKeyBIJYEAOTNKLHAC-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.72
Rot. Bonds4

About 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol

5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol (PubChem CID 139628527) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol.

Molecular Properties

Compound Name5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol
PubChem CID139628527
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol
SMILESCCCCc1cc(O)c(C)cc1-c1ccc(O)c(C)c1
InChIInChI=1S/C18H22O2/c1-4-5-6-14-11-18(20)13(3)10-16(14)15-7-8-17(19)12(2)9-15/h7-11,19-20H,4-6H2,1-3H3
InChIKeyBIJYEAOTNKLHAC-UHFFFAOYSA-N
XLogP4.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol?
The IUPAC name of 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol (CID 139628527) is 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol.
What is the SMILES notation for 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol?
The canonical SMILES for 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol is CCCCc1cc(O)c(C)cc1-c1ccc(O)c(C)c1.
What is the InChIKey of 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol?
The InChIKey is BIJYEAOTNKLHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-5-6-14-11-18(20)13(3)10-16(14)15-7-8-17(19)12(2)9-15/h7-11,19-20H,4-6H2,1-3H3.
What are the key properties of 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol?
5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol has a molecular weight of 270.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(4-hydroxy-3-methylphenyl)-2-methylphenol is sourced from PubChem (CID 139628527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).