1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone

C12H13FO2 — CID 170476850

IUPAC1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1C=CCCO
InChIInChI=1S/C12H13FO2/c1-9(15)12-6-5-11(13)8-10(12)4-2-3-7-14/h2,4-6,8,14H,3,7H2,1H3
InChIKeyQPDWQZRWQLENQN-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.42
Rot. Bonds4

About 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone

1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone (PubChem CID 170476850) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone
PubChem CID170476850
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1C=CCCO
InChIInChI=1S/C12H13FO2/c1-9(15)12-6-5-11(13)8-10(12)4-2-3-7-14/h2,4-6,8,14H,3,7H2,1H3
InChIKeyQPDWQZRWQLENQN-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone (CID 170476850) is 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone is CC(=O)c1ccc(F)cc1C=CCCO.
What is the InChIKey of 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone?
The InChIKey is QPDWQZRWQLENQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-9(15)12-6-5-11(13)8-10(12)4-2-3-7-14/h2,4-6,8,14H,3,7H2,1H3.
What are the key properties of 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone?
1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone has a molecular weight of 208.23 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone is sourced from PubChem (CID 170476850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).