3-fluoro-4-(4-hydroxybutoxy)benzaldehyde

C11H13FO3 — CID 107689660

IUPAC3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCCO)c(F)c1
InChIInChI=1S/C11H13FO3/c12-10-7-9(8-14)3-4-11(10)15-6-2-1-5-13/h3-4,7-8,13H,1-2,5-6H2
InChIKeyBTETZKLTSZUUTC-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.79
Rot. Bonds6

About 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde

3-fluoro-4-(4-hydroxybutoxy)benzaldehyde (PubChem CID 107689660) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
PubChem CID107689660
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
SMILESO=Cc1ccc(OCCCCO)c(F)c1
InChIInChI=1S/C11H13FO3/c12-10-7-9(8-14)3-4-11(10)15-6-2-1-5-13/h3-4,7-8,13H,1-2,5-6H2
InChIKeyBTETZKLTSZUUTC-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406
4-(6-azidohexoxy)-3-fluorobenzaldehyde
CID 146226130
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
6-(2-fluoro-4-formylphenoxy)-2,2-dimethylhexanenitrile
CID 106832439
4-[4-(4-formylphenyl)-2,5-bis(6-hydroxyhexoxy)phenyl]benzaldehyde
CID 176682328
potassium trifluoro-[(2-fluoro-4-formylphenoxy)methyl]boranuide
CID 107693734
3-fluoro-4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]benzaldehyde
CID 107691958
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde?
The IUPAC name of 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde (CID 107689660) is 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde is O=Cc1ccc(OCCCCO)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde?
The InChIKey is BTETZKLTSZUUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-10-7-9(8-14)3-4-11(10)15-6-2-1-5-13/h3-4,7-8,13H,1-2,5-6H2.
What are the key properties of 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde?
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde has a molecular weight of 212.22 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-hydroxybutoxy)benzaldehyde is sourced from PubChem (CID 107689660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).