1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene

C12H14O — CID 143337397

IUPAC1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene
SMILESC=COc1ccccc1/C(C)=C\C
InChIInChI=1S/C12H14O/c1-4-10(3)11-8-6-7-9-12(11)13-5-2/h4-9H,2H2,1,3H3/b10-4-
InChIKeyRJQVSZFVFPLMCY-WMZJFQQLSA-N
MW174.24 g/mol
LogP3.63
Rot. Bonds3

About 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene

1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene (PubChem CID 143337397) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene
PubChem CID143337397
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene
SMILESC=COc1ccccc1/C(C)=C\C
InChIInChI=1S/C12H14O/c1-4-10(3)11-8-6-7-9-12(11)13-5-2/h4-9H,2H2,1,3H3/b10-4-
InChIKeyRJQVSZFVFPLMCY-WMZJFQQLSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene 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

methyl 2-ethenoxybenzoate
CID 66368826
N-(2-ethenoxyphenyl)acetamide
CID 66367179
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-(2-but-2-en-2-ylphenyl)ethylidenetungsten
CID 161267219
2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide
CID 173339898
1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene
CID 137454109
1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene
CID 67583154
1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene
CID 147553319
1-(1-chloroprop-1-en-2-yl)-2-(1-chloroprop-1-en-2-yloxy)benzene
CID 53428023
3-(2-methoxyphenyl)but-2-enal
CID 74217531
1-methoxy-2-pent-2-en-2-ylbenzene
CID 71423787
2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene
CID 119094700

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene (CID 143337397) is 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene is C=COc1ccccc1/C(C)=C\C.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene?
The InChIKey is RJQVSZFVFPLMCY-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H14O/c1-4-10(3)11-8-6-7-9-12(11)13-5-2/h4-9H,2H2,1,3H3/b10-4-.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene?
1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene has a molecular weight of 174.24 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene is sourced from PubChem (CID 143337397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).