4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol

C15H17FO2 — CID 23946780

IUPAC4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol
SMILESC/C(=C\c1ccc(O)c(F)c1)CC[C@@H]1C=CCO1
InChIInChI=1S/C15H17FO2/c1-11(4-6-13-3-2-8-18-13)9-12-5-7-15(17)14(16)10-12/h2-3,5,7,9-10,13,17H,4,6,8H2,1H3/b11-9+/t13-/m0/s1
InChIKeyJKSIPJDVMHIAPB-STRFDMGBSA-N
MW248.30 g/mol
LogP3.67
Rot. Bonds4

About 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol

4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol (PubChem CID 23946780) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol
PubChem CID23946780
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol
SMILESC/C(=C\c1ccc(O)c(F)c1)CC[C@@H]1C=CCO1
InChIInChI=1S/C15H17FO2/c1-11(4-6-13-3-2-8-18-13)9-12-5-7-15(17)14(16)10-12/h2-3,5,7,9-10,13,17H,4,6,8H2,1H3/b11-9+/t13-/m0/s1
InChIKeyJKSIPJDVMHIAPB-STRFDMGBSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.67
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 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol?
The IUPAC name of 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol (CID 23946780) is 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol.
What is the SMILES notation for 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol?
The canonical SMILES for 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol is C/C(=C\c1ccc(O)c(F)c1)CC[C@@H]1C=CCO1.
What is the InChIKey of 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol?
The InChIKey is JKSIPJDVMHIAPB-STRFDMGBSA-N. The full InChI is InChI=1S/C15H17FO2/c1-11(4-6-13-3-2-8-18-13)9-12-5-7-15(17)14(16)10-12/h2-3,5,7,9-10,13,17H,4,6,8H2,1H3/b11-9+/t13-/m0/s1.
What are the key properties of 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol?
4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol has a molecular weight of 248.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-[(2R)-2,5-dihydrofuran-2-yl]-2-methylbut-1-enyl]-2-fluorophenol is sourced from PubChem (CID 23946780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).