1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene

C15H22O2 — CID 139799952

IUPAC1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(OCCCCOCC)c1
InChIInChI=1S/C15H22O2/c1-4-16-10-5-6-11-17-15-9-7-8-14(12-15)13(2)3/h7-9,12H,2,4-6,10-11H2,1,3H3
InChIKeyLBLGMJRUTJHQQP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.92
Rot. Bonds8

About 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene

1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene (PubChem CID 139799952) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene
PubChem CID139799952
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(OCCCCOCC)c1
InChIInChI=1S/C15H22O2/c1-4-16-10-5-6-11-17-15-9-7-8-14(12-15)13(2)3/h7-9,12H,2,4-6,10-11H2,1,3H3
InChIKeyLBLGMJRUTJHQQP-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457228
4-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 105122439
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
1-(3-henicosoxyphenyl)ethanone
CID 23127401
3-(3-heptoxypropoxy)benzoic acid
CID 63530132
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
3-(5-butoxypentoxy)benzamide
CID 71713772
N-(4-acetamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139517
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene (CID 139799952) is 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(OCCCCOCC)c1.
What is the InChIKey of 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene?
The InChIKey is LBLGMJRUTJHQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-16-10-5-6-11-17-15-9-7-8-14(12-15)13(2)3/h7-9,12H,2,4-6,10-11H2,1,3H3.
What are the key properties of 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene?
1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene has a molecular weight of 234.34 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutoxy)-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 139799952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).