2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde

C15H11FO3 — CID 13340101

IUPAC2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
SMILESO=CC(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FO3/c16-13-5-1-11(2-6-13)10-19-14-7-3-12(4-8-14)15(18)9-17/h1-9H,10H2
InChIKeySRWHIBMDIKIAOV-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde

2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde (PubChem CID 13340101) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
PubChem CID13340101
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
SMILESO=CC(=O)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H11FO3/c16-13-5-1-11(2-6-13)10-19-14-7-3-12(4-8-14)15(18)9-17/h1-9H,10H2
InChIKeySRWHIBMDIKIAOV-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
(E)-1-(4-fluorophenyl)-3-[4-[(4-prop-1-en-2-ylphenyl)methoxy]phenyl]prop-2-en-1-one
CID 22026869
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
butyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 13176542
2-methylpropyl 4-[(4-fluorophenyl)methoxy]benzoate
CID 82186361
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 53456323
(E)-1-[4-[(4-fluorophenyl)methoxy]phenyl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 52946461
5-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-oxopent-2-enoic acid
CID 66789734
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-fluoro-4-(phenoxymethyl)benzene
CID 957495

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde (CID 13340101) is 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde is O=CC(=O)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde?
The InChIKey is SRWHIBMDIKIAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-13-5-1-11(2-6-13)10-19-14-7-3-12(4-8-14)15(18)9-17/h1-9H,10H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde?
2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde has a molecular weight of 258.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde is sourced from PubChem (CID 13340101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).