1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone

C18H28O5 — CID 159078637

IUPAC1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone
SMILESCCCOCCOCCOCCOCc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H28O5/c1-3-8-20-9-10-21-11-12-22-13-14-23-15-17-4-6-18(7-5-17)16(2)19/h4-7H,3,8-15H2,1-2H3
InChIKeyBEGFINNARRRUST-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.87
Rot. Bonds14

About 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone

1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone (PubChem CID 159078637) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone
PubChem CID159078637
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone
SMILESCCCOCCOCCOCCOCc1ccc(C(C)=O)cc1
InChIInChI=1S/C18H28O5/c1-3-8-20-9-10-21-11-12-22-13-14-23-15-17-4-6-18(7-5-17)16(2)19/h4-7H,3,8-15H2,1-2H3
InChIKeyBEGFINNARRRUST-UHFFFAOYSA-N
XLogP2.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-propoxyethoxymethyl)phenyl]acetohydrazide
CID 105351528
(4-acetylphenyl) 2-propoxyethyl carbonate
CID 156748623
2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
CID 68740379
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
1-[4-[(4-butoxyphenoxy)methyl]phenyl]ethanone
CID 2216486
1-[3-(2-hydroxyethoxymethyl)phenyl]ethanone;1-[3-(propoxymethyl)phenyl]ethanone
CID 162210994
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
1-[3-tert-butyl-5-(propoxymethyl)phenyl]ethanone
CID 58136896
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
CID 21110216

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone (CID 159078637) is 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone is CCCOCCOCCOCCOCc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone?
The InChIKey is BEGFINNARRRUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5/c1-3-8-20-9-10-21-11-12-22-13-14-23-15-17-4-6-18(7-5-17)16(2)19/h4-7H,3,8-15H2,1-2H3.
What are the key properties of 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone?
1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone has a molecular weight of 324.42 g/mol, XLogP of 2.87, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanone is sourced from PubChem (CID 159078637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).