1-(2-ethenoxyethyl)-4-ethenylbenzene

C12H14O — CID 23031073

IUPAC1-(2-ethenoxyethyl)-4-ethenylbenzene
SMILESC=COCCc1ccc(C=C)cc1
InChIInChI=1S/C12H14O/c1-3-11-5-7-12(8-6-11)9-10-13-4-2/h3-8H,1-2,9-10H2
InChIKeyYPIXPPIROPQOHK-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-ethenoxyethyl)-4-ethenylbenzene

1-(2-ethenoxyethyl)-4-ethenylbenzene (PubChem CID 23031073) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-4-ethenylbenzene.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-4-ethenylbenzene
PubChem CID23031073
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-(2-ethenoxyethyl)-4-ethenylbenzene
SMILESC=COCCc1ccc(C=C)cc1
InChIInChI=1S/C12H14O/c1-3-11-5-7-12(8-6-11)9-10-13-4-2/h3-8H,1-2,9-10H2
InChIKeyYPIXPPIROPQOHK-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-ethenoxyethyl)-4-ethenylbenzene 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

1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene
CID 22082114
1-(2-ethenoxyethylsulfanylmethyl)-4-ethenylbenzene
CID 58571549
2,6-bis(2-ethenoxyethyl)naphthalene
CID 150795307
1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene
CID 155076269
1-ethenoxypentane;1-ethenyl-4-ethylbenzene
CID 54369446
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293
1-cyclohexyl-4-(2-ethenoxyethyl)benzene
CID 177370560
2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate
CID 154622094
3-(2-ethenoxyethyl)thiophene
CID 70162385
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)-4-ethenylbenzene?
The IUPAC name of 1-(2-ethenoxyethyl)-4-ethenylbenzene (CID 23031073) is 1-(2-ethenoxyethyl)-4-ethenylbenzene.
What is the SMILES notation for 1-(2-ethenoxyethyl)-4-ethenylbenzene?
The canonical SMILES for 1-(2-ethenoxyethyl)-4-ethenylbenzene is C=COCCc1ccc(C=C)cc1.
What is the InChIKey of 1-(2-ethenoxyethyl)-4-ethenylbenzene?
The InChIKey is YPIXPPIROPQOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-11-5-7-12(8-6-11)9-10-13-4-2/h3-8H,1-2,9-10H2.
What are the key properties of 1-(2-ethenoxyethyl)-4-ethenylbenzene?
1-(2-ethenoxyethyl)-4-ethenylbenzene has a molecular weight of 174.24 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-4-ethenylbenzene is sourced from PubChem (CID 23031073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).