2-fluoro-4-(3-methylbut-2-enoxy)phenol

C11H13FO2 — CID 19816519

IUPAC2-fluoro-4-(3-methylbut-2-enoxy)phenol
SMILESCC(C)=CCOc1ccc(O)c(F)c1
InChIInChI=1S/C11H13FO2/c1-8(2)5-6-14-9-3-4-11(13)10(12)7-9/h3-5,7,13H,6H2,1-2H3
InChIKeyQZRSEGICOZIZBV-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.88
Rot. Bonds3

About 2-fluoro-4-(3-methylbut-2-enoxy)phenol

2-fluoro-4-(3-methylbut-2-enoxy)phenol (PubChem CID 19816519) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-fluoro-4-(3-methylbut-2-enoxy)phenol.

Molecular Properties

Compound Name2-fluoro-4-(3-methylbut-2-enoxy)phenol
PubChem CID19816519
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-fluoro-4-(3-methylbut-2-enoxy)phenol
SMILESCC(C)=CCOc1ccc(O)c(F)c1
InChIInChI=1S/C11H13FO2/c1-8(2)5-6-14-9-3-4-11(13)10(12)7-9/h3-5,7,13H,6H2,1-2H3
InChIKeyQZRSEGICOZIZBV-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.88
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 2-fluoro-4-(3-methylbut-2-enoxy)phenol?
The IUPAC name of 2-fluoro-4-(3-methylbut-2-enoxy)phenol (CID 19816519) is 2-fluoro-4-(3-methylbut-2-enoxy)phenol.
What is the SMILES notation for 2-fluoro-4-(3-methylbut-2-enoxy)phenol?
The canonical SMILES for 2-fluoro-4-(3-methylbut-2-enoxy)phenol is CC(C)=CCOc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(3-methylbut-2-enoxy)phenol?
The InChIKey is QZRSEGICOZIZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8(2)5-6-14-9-3-4-11(13)10(12)7-9/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 2-fluoro-4-(3-methylbut-2-enoxy)phenol?
2-fluoro-4-(3-methylbut-2-enoxy)phenol has a molecular weight of 196.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-methylbut-2-enoxy)phenol is sourced from PubChem (CID 19816519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).