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

C25H25FO2 — CID 23539150

IUPAC5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
SMILESCC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(F)cc3)cc2C)cc1O
InChIInChI=1S/C25H25FO2/c1-16(2)11-12-28-25-10-7-20(15-24(25)27)23-14-17(3)22(13-18(23)4)19-5-8-21(26)9-6-19/h5-11,13-15,27H,12H2,1-4H3
InChIKeyHGXDXRVMSBXRCV-UHFFFAOYSA-N
MW376.47 g/mol
LogP6.83
Rot. Bonds5

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

5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol (PubChem CID 23539150) has the molecular formula C25H25FO2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
PubChem CID23539150
Molecular FormulaC25H25FO2
Molecular Weight376.47 g/mol
Exact Mass376.18
IUPAC Name5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol
SMILESCC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(F)cc3)cc2C)cc1O
InChIInChI=1S/C25H25FO2/c1-16(2)11-12-28-25-10-7-20(15-24(25)27)23-14-17(3)22(13-18(23)4)19-5-8-21(26)9-6-19/h5-11,13-15,27H,12H2,1-4H3
InChIKeyHGXDXRVMSBXRCV-UHFFFAOYSA-N
XLogP6.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?
The IUPAC name of 5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol (CID 23539150) is 5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?
The canonical SMILES for 5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol is CC(C)=CCOc1ccc(-c2cc(C)c(-c3ccc(F)cc3)cc2C)cc1O.
What is the InChIKey of 5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?
The InChIKey is HGXDXRVMSBXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FO2/c1-16(2)11-12-28-25-10-7-20(15-24(25)27)23-14-17(3)22(13-18(23)4)19-5-8-21(26)9-6-19/h5-11,13-15,27H,12H2,1-4H3.
What are the key properties of 5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol?
5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol has a molecular weight of 376.47 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-2,5-dimethylphenyl]-2-(3-methylbut-2-enoxy)phenol is sourced from PubChem (CID 23539150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).