4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

C38H44O4 — CID 69470587

IUPAC4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.CCCCc1ccc(O)c(-c2cc(CCCC)ccc2O)c1
InChIInChI=1S/C20H26O2.C18H18O2/c1-3-5-7-15-9-11-19(21)17(13-15)18-14-16(8-6-4-2)10-12-20(18)22;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h9-14,21-22H,3-8H2,1-2H3;3-4,7-12,19-20H,1-2,5-6H2
InChIKeyXEMOKLJVIGTZEL-UHFFFAOYSA-N
MW564.77 g/mol
LogP9.67
Rot. Bonds12

About 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (PubChem CID 69470587) has the molecular formula C38H44O4 and a molecular weight of 564.77 g/mol. Its IUPAC name is 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.

Molecular Properties

Compound Name4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
PubChem CID69470587
Molecular FormulaC38H44O4
Molecular Weight564.77 g/mol
Exact Mass564.32
IUPAC Name4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.CCCCc1ccc(O)c(-c2cc(CCCC)ccc2O)c1
InChIInChI=1S/C20H26O2.C18H18O2/c1-3-5-7-15-9-11-19(21)17(13-15)18-14-16(8-6-4-2)10-12-20(18)22;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h9-14,21-22H,3-8H2,1-2H3;3-4,7-12,19-20H,1-2,5-6H2
InChIKeyXEMOKLJVIGTZEL-UHFFFAOYSA-N
XLogP9.67
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 59.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 159824823
2-(2-hydroxy-5-prop-2-enylphenyl)-4-(3-methoxypropyl)phenol
CID 163721087
2-(2-nitroso-5-propylphenyl)-4-prop-2-enylphenol
CID 174351688
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399
1-butyl-3-prop-2-enylbenzene
CID 140596641
2-(2-hydroxy-5-propan-2-ylphenyl)-4-propan-2-ylphenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 157385914
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
1-pentyl-4-prop-2-enylbenzene
CID 24721930
4-butyl-2-(3,5-ditert-butylphenyl)phenol
CID 141194597
1-hexyl-4-prop-2-enylbenzene
CID 91099375
4-butyl-2-methylphenol
CID 10964856
4-pentyl-2-phenylphenol
CID 154147556

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The IUPAC name of 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol (CID 69470587) is 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol.
What is the SMILES notation for 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The canonical SMILES for 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.CCCCc1ccc(O)c(-c2cc(CCCC)ccc2O)c1.
What is the InChIKey of 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
The InChIKey is XEMOKLJVIGTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2.C18H18O2/c1-3-5-7-15-9-11-19(21)17(13-15)18-14-16(8-6-4-2)10-12-20(18)22;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h9-14,21-22H,3-8H2,1-2H3;3-4,7-12,19-20H,1-2,5-6H2.
What are the key properties of 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol?
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol has a molecular weight of 564.77 g/mol, XLogP of 9.67, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol is sourced from PubChem (CID 69470587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).