5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol

C25H26O3 — CID 23539173

IUPAC5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
SMILESCC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)c(C)c2)cc1O
InChIInChI=1S/C25H26O3/c1-16(2)11-12-28-24-10-7-20(15-23(24)27)21-13-17(3)25(18(4)14-21)19-5-8-22(26)9-6-19/h5-11,13-15,26-27H,12H2,1-4H3
InChIKeyUNNYGPSANBNIKJ-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.39
Rot. Bonds5

About 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol

5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol (PubChem CID 23539173) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol.

Molecular Properties

Compound Name5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
PubChem CID23539173
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
SMILESCC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)c(C)c2)cc1O
InChIInChI=1S/C25H26O3/c1-16(2)11-12-28-24-10-7-20(15-23(24)27)21-13-17(3)25(18(4)14-21)19-5-8-22(26)9-6-19/h5-11,13-15,26-27H,12H2,1-4H3
InChIKeyUNNYGPSANBNIKJ-UHFFFAOYSA-N
XLogP6.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?
The IUPAC name of 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol (CID 23539173) is 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol.
What is the SMILES notation for 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?
The canonical SMILES for 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol is CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(O)cc3)c(C)c2)cc1O.
What is the InChIKey of 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?
The InChIKey is UNNYGPSANBNIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-16(2)11-12-28-24-10-7-20(15-23(24)27)21-13-17(3)25(18(4)14-21)19-5-8-22(26)9-6-19/h5-11,13-15,26-27H,12H2,1-4H3.
What are the key properties of 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?
5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol has a molecular weight of 374.48 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-hydroxyphenyl)-3,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol is sourced from PubChem (CID 23539173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).