2-(4-phenylbut-3-enoxy)ethylbenzene

C18H20O — CID 175183681

IUPAC2-(4-phenylbut-3-enoxy)ethylbenzene
SMILESC(=Cc1ccccc1)CCOCCc1ccccc1
InChIInChI=1S/C18H20O/c1-3-9-17(10-4-1)13-7-8-15-19-16-14-18-11-5-2-6-12-18/h1-7,9-13H,8,14-16H2
InChIKeyOYSAKMVPGWZYFX-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.35
Rot. Bonds7

About 2-(4-phenylbut-3-enoxy)ethylbenzene

2-(4-phenylbut-3-enoxy)ethylbenzene (PubChem CID 175183681) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(4-phenylbut-3-enoxy)ethylbenzene.

Molecular Properties

Compound Name2-(4-phenylbut-3-enoxy)ethylbenzene
PubChem CID175183681
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-(4-phenylbut-3-enoxy)ethylbenzene
SMILESC(=Cc1ccccc1)CCOCCc1ccccc1
InChIInChI=1S/C18H20O/c1-3-9-17(10-4-1)13-7-8-15-19-16-14-18-11-5-2-6-12-18/h1-7,9-13H,8,14-16H2
InChIKeyOYSAKMVPGWZYFX-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene
CID 56957260
[(E)-3-[(Z)-4-(2-phenylethylsulfanyl)but-3-enoxy]prop-1-enyl]benzene
CID 10543996
[(E)-1-deuterio-4-phenylbut-3-enyl]benzene
CID 10375808
4-phenylbut-3-enyl formate
CID 91350820
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
5-ethoxypent-1-enylbenzene
CID 54285670
[4-[2-(3-phenylprop-2-enoxy)ethyl]phenyl]phosphonic acid
CID 139910437
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
5-phenoxypent-1-enylbenzene
CID 173201484
[(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene
CID 67923189
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbut-3-enoxy)ethylbenzene?
The IUPAC name of 2-(4-phenylbut-3-enoxy)ethylbenzene (CID 175183681) is 2-(4-phenylbut-3-enoxy)ethylbenzene.
What is the SMILES notation for 2-(4-phenylbut-3-enoxy)ethylbenzene?
The canonical SMILES for 2-(4-phenylbut-3-enoxy)ethylbenzene is C(=Cc1ccccc1)CCOCCc1ccccc1.
What is the InChIKey of 2-(4-phenylbut-3-enoxy)ethylbenzene?
The InChIKey is OYSAKMVPGWZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-9-17(10-4-1)13-7-8-15-19-16-14-18-11-5-2-6-12-18/h1-7,9-13H,8,14-16H2.
What are the key properties of 2-(4-phenylbut-3-enoxy)ethylbenzene?
2-(4-phenylbut-3-enoxy)ethylbenzene has a molecular weight of 252.36 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbut-3-enoxy)ethylbenzene is sourced from PubChem (CID 175183681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).