3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal

C15H12ClFO3 — CID 19746302

IUPAC3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal
SMILESO=CCCOc1ccc(Oc2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H12ClFO3/c16-14-10-13(5-6-15(14)19-8-2-7-18)20-12-4-1-3-11(17)9-12/h1,3-7,9-10H,2,8H2
InChIKeyQBBINHLBKXAUSA-UHFFFAOYSA-N
MW294.71 g/mol
LogP4.24
Rot. Bonds6

About 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal

3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal (PubChem CID 19746302) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal.

Molecular Properties

Compound Name3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal
PubChem CID19746302
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal
SMILESO=CCCOc1ccc(Oc2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H12ClFO3/c16-14-10-13(5-6-15(14)19-8-2-7-18)20-12-4-1-3-11(17)9-12/h1,3-7,9-10H,2,8H2
InChIKeyQBBINHLBKXAUSA-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene
CID 121472039
4-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]-N-ethoxybutan-1-imine
CID 173358911
2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethylcarbamic acid
CID 57257814
3-(3-chlorophenoxy)propanal
CID 63040616
3-(2,5-difluorophenoxy)propanal
CID 63269959
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
3-(4-chloronaphthalen-1-yl)oxypropanal
CID 63040435
5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
2-chloroethyl N-[2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethyl]carbamate
CID 18966667
1-fluoro-3-hex-3-enoxybenzene
CID 91033540
2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde
CID 141352961

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal?
The IUPAC name of 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal (CID 19746302) is 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal.
What is the SMILES notation for 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal?
The canonical SMILES for 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal is O=CCCOc1ccc(Oc2cccc(F)c2)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal?
The InChIKey is QBBINHLBKXAUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c16-14-10-13(5-6-15(14)19-8-2-7-18)20-12-4-1-3-11(17)9-12/h1,3-7,9-10H,2,8H2.
What are the key properties of 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal?
3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal has a molecular weight of 294.71 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal is sourced from PubChem (CID 19746302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).