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

C11H11FO2 — CID 170476436

IUPAC2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde
SMILESO=Cc1cc(C=CCCO)ccc1F
InChIInChI=1S/C11H11FO2/c12-11-5-4-9(3-1-2-6-13)7-10(11)8-14/h1,3-5,7-8,13H,2,6H2
InChIKeyRYSBOEACISQVRH-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.03
Rot. Bonds4

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

2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde (PubChem CID 170476436) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde
PubChem CID170476436
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde
SMILESO=Cc1cc(C=CCCO)ccc1F
InChIInChI=1S/C11H11FO2/c12-11-5-4-9(3-1-2-6-13)7-10(11)8-14/h1,3-5,7-8,13H,2,6H2
InChIKeyRYSBOEACISQVRH-UHFFFAOYSA-N
XLogP2.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde?
The IUPAC name of 2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde (CID 170476436) is 2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde?
The canonical SMILES for 2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde is O=Cc1cc(C=CCCO)ccc1F.
What is the InChIKey of 2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde?
The InChIKey is RYSBOEACISQVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-11-5-4-9(3-1-2-6-13)7-10(11)8-14/h1,3-5,7-8,13H,2,6H2.
What are the key properties of 2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde?
2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde has a molecular weight of 194.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde is sourced from PubChem (CID 170476436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).