acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde

C16H15FO3 — CID 175354116

IUPACacetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
SMILESCC=O.O=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FO2.C2H4O/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14;1-2-3/h1-9H,10H2;2H,1H3
InChIKeyXGWDVRCAZYWCCX-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.42
Rot. Bonds4

About acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde

acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde (PubChem CID 175354116) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Nameacetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
PubChem CID175354116
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Nameacetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
SMILESCC=O.O=Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FO2.C2H4O/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14;1-2-3/h1-9H,10H2;2H,1H3
InChIKeyXGWDVRCAZYWCCX-UHFFFAOYSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
4-[[4-(2-methylpropanoyl)phenyl]methoxy]benzaldehyde
CID 87614640
4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564
3-[(4-fluorophenoxy)methyl]-5-(methyliminomethyl)benzaldehyde
CID 138708557
6-[(4-fluorophenoxy)methyl]pyridine-3-carbaldehyde
CID 59255367
4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 91655713
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-en-1-ol
CID 169454334
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965
2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
CID 13340101

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde?
The IUPAC name of acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde (CID 175354116) is acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde is CC=O.O=Cc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde?
The InChIKey is XGWDVRCAZYWCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2.C2H4O/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14;1-2-3/h1-9H,10H2;2H,1H3.
What are the key properties of acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde?
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde has a molecular weight of 274.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 175354116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).