4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde

C19H13FO3 — CID 13368776

IUPAC4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
SMILESO=Cc1ccc(F)c(Oc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C19H13FO3/c20-18-11-6-14(13-21)12-19(18)23-17-9-7-16(8-10-17)22-15-4-2-1-3-5-15/h1-13H
InChIKeyJASHBXAMKHCTPQ-UHFFFAOYSA-N
MW308.31 g/mol
LogP5.22
Rot. Bonds5

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

4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde (PubChem CID 13368776) has the molecular formula C19H13FO3 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
PubChem CID13368776
Molecular FormulaC19H13FO3
Molecular Weight308.31 g/mol
Exact Mass308.08
IUPAC Name4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
SMILESO=Cc1ccc(F)c(Oc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C19H13FO3/c20-18-11-6-14(13-21)12-19(18)23-17-9-7-16(8-10-17)22-15-4-2-1-3-5-15/h1-13H
InChIKeyJASHBXAMKHCTPQ-UHFFFAOYSA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.31
LogP ≤ 55.22
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-hydroxy-3,5-diphenoxybenzaldehyde
CID 101190258
1-fluoro-4-(2-methylsulfinylprop-1-enyl)-2-phenoxybenzene
CID 54021314
methyl (E)-3-(4-fluoro-3-phenoxyphenyl)prop-2-enoate
CID 19849257
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
4-(4-fluoro-3-prop-2-enoxyphenoxy)benzaldehyde
CID 11403025
2,4-diphenoxybenzaldehyde
CID 87301631
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
ethane;1-fluoro-2-phenoxybenzene
CID 170962676

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde?
The IUPAC name of 4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde (CID 13368776) is 4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde.
What is the SMILES notation for 4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde?
The canonical SMILES for 4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde is O=Cc1ccc(F)c(Oc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde?
The InChIKey is JASHBXAMKHCTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO3/c20-18-11-6-14(13-21)12-19(18)23-17-9-7-16(8-10-17)22-15-4-2-1-3-5-15/h1-13H.
What are the key properties of 4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde?
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde has a molecular weight of 308.31 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde is sourced from PubChem (CID 13368776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).