2-[3-(4-fluorophenoxy)phenyl]acetaldehyde

C14H11FO2 — CID 170962590

IUPAC2-[3-(4-fluorophenoxy)phenyl]acetaldehyde
SMILESO=CCc1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FO2/c15-12-4-6-13(7-5-12)17-14-3-1-2-11(10-14)8-9-16/h1-7,9-10H,8H2
InChIKeyXCDBQMZGKGMUKL-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.36
Rot. Bonds4

About 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde

2-[3-(4-fluorophenoxy)phenyl]acetaldehyde (PubChem CID 170962590) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)phenyl]acetaldehyde
PubChem CID170962590
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name2-[3-(4-fluorophenoxy)phenyl]acetaldehyde
SMILESO=CCc1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FO2/c15-12-4-6-13(7-5-12)17-14-3-1-2-11(10-14)8-9-16/h1-7,9-10H,8H2
InChIKeyXCDBQMZGKGMUKL-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenoxy)phenyl]acetaldehyde
CID 87855455
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
1-fluoro-4-(3-propylphenoxy)benzene
CID 54416846
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
CID 58531395
1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
CID 67686849
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
(E)-4-(3-phenoxyphenyl)but-2-enoic acid
CID 12054491
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-chloro-4-[(1R)-1-cyclopropyl-2-fluoro-4-[3-(4-fluorophenoxy)phenyl]but-2-enyl]benzene
CID 57096065
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
1-pent-2-enyl-3-phenoxybenzene
CID 70370206

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde?
The IUPAC name of 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde (CID 170962590) is 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde?
The canonical SMILES for 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde is O=CCc1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde?
The InChIKey is XCDBQMZGKGMUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-12-4-6-13(7-5-12)17-14-3-1-2-11(10-14)8-9-16/h1-7,9-10H,8H2.
What are the key properties of 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde?
2-[3-(4-fluorophenoxy)phenyl]acetaldehyde has a molecular weight of 230.24 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)phenyl]acetaldehyde is sourced from PubChem (CID 170962590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).