2-fluoro-5-(4-hydroxybut-1-enyl)phenol

C10H11FO2 — CID 170476152

IUPAC2-fluoro-5-(4-hydroxybut-1-enyl)phenol
SMILESOCCC=Cc1ccc(F)c(O)c1
InChIInChI=1S/C10H11FO2/c11-9-5-4-8(7-10(9)13)3-1-2-6-12/h1,3-5,7,12-13H,2,6H2
InChIKeyKHLNHXKCPHNAQV-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.93
Rot. Bonds3

About 2-fluoro-5-(4-hydroxybut-1-enyl)phenol

2-fluoro-5-(4-hydroxybut-1-enyl)phenol (PubChem CID 170476152) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-fluoro-5-(4-hydroxybut-1-enyl)phenol.

Molecular Properties

Compound Name2-fluoro-5-(4-hydroxybut-1-enyl)phenol
PubChem CID170476152
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-fluoro-5-(4-hydroxybut-1-enyl)phenol
SMILESOCCC=Cc1ccc(F)c(O)c1
InChIInChI=1S/C10H11FO2/c11-9-5-4-8(7-10(9)13)3-1-2-6-12/h1,3-5,7,12-13H,2,6H2
InChIKeyKHLNHXKCPHNAQV-UHFFFAOYSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde
CID 170476436
2-[2-fluoro-5-(4-hydroxybut-1-enyl)phenyl]acetic acid
CID 170477059
(Z)-4-(4-chlorophenyl)but-3-en-1-ol
CID 117268088
2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide
CID 170476987
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477031
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
(E)-3-(4-fluoro-3-hydroxyphenyl)prop-2-enoyl iodide
CID 163931777
2-fluoro-6-(4-hydroxybut-1-enyl)phenol
CID 170476150
4-[(E)-hept-1-enyl]benzene-1,2-diol
CID 19968505
5-(4-aminobut-1-enyl)-2-methylphenol
CID 170486582

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-hydroxybut-1-enyl)phenol?
The IUPAC name of 2-fluoro-5-(4-hydroxybut-1-enyl)phenol (CID 170476152) is 2-fluoro-5-(4-hydroxybut-1-enyl)phenol.
What is the SMILES notation for 2-fluoro-5-(4-hydroxybut-1-enyl)phenol?
The canonical SMILES for 2-fluoro-5-(4-hydroxybut-1-enyl)phenol is OCCC=Cc1ccc(F)c(O)c1.
What is the InChIKey of 2-fluoro-5-(4-hydroxybut-1-enyl)phenol?
The InChIKey is KHLNHXKCPHNAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c11-9-5-4-8(7-10(9)13)3-1-2-6-12/h1,3-5,7,12-13H,2,6H2.
What are the key properties of 2-fluoro-5-(4-hydroxybut-1-enyl)phenol?
2-fluoro-5-(4-hydroxybut-1-enyl)phenol has a molecular weight of 182.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-hydroxybut-1-enyl)phenol is sourced from PubChem (CID 170476152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).