4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde

C15H13FO3 — CID 86645072

IUPAC4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
SMILESO=Cc1ccc(OCC(O)c2ccccc2F)cc1
InChIInChI=1S/C15H13FO3/c16-14-4-2-1-3-13(14)15(18)10-19-12-7-5-11(9-17)6-8-12/h1-9,15,18H,10H2
InChIKeyJBTHBTSSMDDZEH-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.75
Rot. Bonds5

About 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde

4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde (PubChem CID 86645072) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
PubChem CID86645072
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
SMILESO=Cc1ccc(OCC(O)c2ccccc2F)cc1
InChIInChI=1S/C15H13FO3/c16-14-4-2-1-3-13(14)15(18)10-19-12-7-5-11(9-17)6-8-12/h1-9,15,18H,10H2
InChIKeyJBTHBTSSMDDZEH-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 109414968
4-[4-[2-(2-fluorophenyl)-2-hydroxyethoxy]phenyl]butan-2-one
CID 110885738
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
1-(2-fluorophenyl)-2-pyridin-3-yloxyethanol
CID 117243776
4-(2-hydroxybutoxy)benzaldehyde
CID 60885218
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843
(1R)-1-(2-fluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 97243469
N,N-diethyl-3-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzamide
CID 109416737
1-(2-aminophenyl)-2-(4-fluorophenoxy)ethanol
CID 62267016
4-[3-[4-[2-[4-[3-(4-formylphenoxy)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]benzaldehyde
CID 100967393
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
CID 54594555
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde?
The IUPAC name of 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde (CID 86645072) is 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde is O=Cc1ccc(OCC(O)c2ccccc2F)cc1.
What is the InChIKey of 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde?
The InChIKey is JBTHBTSSMDDZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c16-14-4-2-1-3-13(14)15(18)10-19-12-7-5-11(9-17)6-8-12/h1-9,15,18H,10H2.
What are the key properties of 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde?
4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde has a molecular weight of 260.26 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde is sourced from PubChem (CID 86645072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).