1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene

C15H22O — CID 18696647

IUPAC1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene
SMILESCCO/C=C/C(C)c1cccc(C(C)C)c1
InChIInChI=1S/C15H22O/c1-5-16-10-9-13(4)15-8-6-7-14(11-15)12(2)3/h6-13H,5H2,1-4H3/b10-9+
InChIKeySXZZFIATGCZKSJ-MDZDMXLPSA-N
MW218.34 g/mol
LogP4.46
Rot. Bonds5

About 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene

1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene (PubChem CID 18696647) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene
PubChem CID18696647
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene
SMILESCCO/C=C/C(C)c1cccc(C(C)C)c1
InChIInChI=1S/C15H22O/c1-5-16-10-9-13(4)15-8-6-7-14(11-15)12(2)3/h6-13H,5H2,1-4H3/b10-9+
InChIKeySXZZFIATGCZKSJ-MDZDMXLPSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl [(E)-3-(3-propan-2-ylphenyl)but-1-enyl] carbonate
CID 15389240
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
ethyl 2,3-dihydroxy-3-(3-propan-2-ylphenyl)propanoate
CID 171865944
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
[(Z)-4-methoxybut-3-en-2-yl]benzene
CID 10558945
1,3-di(propan-2-yl)benzene;ethyl carbamate;isocyanate
CID 86739330
1,3-di(propan-2-yl)benzene;1-ethyl-3-methoxybenzene
CID 178169906
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618
1-(3-propan-2-ylphenyl)ethane-1,2-diol
CID 155397805

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene?
The IUPAC name of 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene (CID 18696647) is 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene.
What is the SMILES notation for 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene?
The canonical SMILES for 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene is CCO/C=C/C(C)c1cccc(C(C)C)c1.
What is the InChIKey of 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene?
The InChIKey is SXZZFIATGCZKSJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H22O/c1-5-16-10-9-13(4)15-8-6-7-14(11-15)12(2)3/h6-13H,5H2,1-4H3/b10-9+.
What are the key properties of 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene?
1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-ethoxybut-3-en-2-yl]-3-propan-2-ylbenzene is sourced from PubChem (CID 18696647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).