1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene

C16H24O3 — CID 123157384

IUPAC1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
SMILESC=Cc1ccc(COCCOCCOCCC)cc1
InChIInChI=1S/C16H24O3/c1-3-9-17-10-11-18-12-13-19-14-16-7-5-15(4-2)6-8-16/h4-8H,2-3,9-14H2,1H3
InChIKeyBLESHRFUAOCHJK-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.29
Rot. Bonds11

About 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene

1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene (PubChem CID 123157384) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
PubChem CID123157384
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
SMILESC=Cc1ccc(COCCOCCOCCC)cc1
InChIInChI=1S/C16H24O3/c1-3-9-17-10-11-18-12-13-19-14-16-7-5-15(4-2)6-8-16/h4-8H,2-3,9-14H2,1H3
InChIKeyBLESHRFUAOCHJK-UHFFFAOYSA-N
XLogP3.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
CID 58592129
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
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
2-[(4-ethenylphenyl)methoxy]ethyl-dimethoxysilane
CID 154323756
acetic acid;ethanol;1-ethenyl-4-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxymethyl]benzene;2-[(4-ethenylphenyl)methoxy]acetic acid;styrene
CID 159230029
1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 89264123
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
CID 54364407
(4-ethenylphenyl)methoxymethylsilane
CID 159198884

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene?
The IUPAC name of 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene (CID 123157384) is 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene?
The canonical SMILES for 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene is C=Cc1ccc(COCCOCCOCCC)cc1.
What is the InChIKey of 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene?
The InChIKey is BLESHRFUAOCHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-9-17-10-11-18-12-13-19-14-16-7-5-15(4-2)6-8-16/h4-8H,2-3,9-14H2,1H3.
What are the key properties of 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene?
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene has a molecular weight of 264.37 g/mol, XLogP of 3.29, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene is sourced from PubChem (CID 123157384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).