3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal

C18H27FO5 — CID 176954781

IUPAC3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal
SMILESCCCc1ccc(OCCOCCOCCOCCC=O)c(F)c1
InChIInChI=1S/C18H27FO5/c1-2-4-16-5-6-18(17(19)15-16)24-14-13-23-12-11-22-10-9-21-8-3-7-20/h5-7,15H,2-4,8-14H2,1H3
InChIKeyZQFXDIILDDUZLS-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.80
Rot. Bonds15

About 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal

3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal (PubChem CID 176954781) has the molecular formula C18H27FO5 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal.

Molecular Properties

Compound Name3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal
PubChem CID176954781
Molecular FormulaC18H27FO5
Molecular Weight342.41 g/mol
Exact Mass342.18
IUPAC Name3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal
SMILESCCCc1ccc(OCCOCCOCCOCCC=O)c(F)c1
InChIInChI=1S/C18H27FO5/c1-2-4-16-5-6-18(17(19)15-16)24-14-13-23-12-11-22-10-9-21-8-3-7-20/h5-7,15H,2-4,8-14H2,1H3
InChIKeyZQFXDIILDDUZLS-UHFFFAOYSA-N
XLogP2.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822
2-[2-(4-butoxy-3-fluorophenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758552
15-[2-[2,4-di(nonyl)phenoxy]ethoxy]pentadecanal
CID 58616728
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
2-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 107692598
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine
CID 107686829
(4-ethyl-2-fluorophenyl) 4-(3-fluoro-4-nonoxyphenyl)benzoate;(2-fluoro-4-propylphenyl) 4-(3-fluoro-4-nonoxyphenyl)benzoate
CID 88595180
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
4-(bromomethyl)-2-fluoro-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 107691568
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal?
The IUPAC name of 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal (CID 176954781) is 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal.
What is the SMILES notation for 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal?
The canonical SMILES for 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal is CCCc1ccc(OCCOCCOCCOCCC=O)c(F)c1.
What is the InChIKey of 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal?
The InChIKey is ZQFXDIILDDUZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FO5/c1-2-4-16-5-6-18(17(19)15-16)24-14-13-23-12-11-22-10-9-21-8-3-7-20/h5-7,15H,2-4,8-14H2,1H3.
What are the key properties of 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal?
3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal has a molecular weight of 342.41 g/mol, XLogP of 2.80, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-fluoro-4-propylphenoxy)ethoxy]ethoxy]ethoxy]propanal is sourced from PubChem (CID 176954781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).