1-but-1-en-2-yloxyethenylbenzene

C12H14O — CID 147866453

IUPAC1-but-1-en-2-yloxyethenylbenzene
SMILESC=C(CC)OC(=C)c1ccccc1
InChIInChI=1S/C12H14O/c1-4-10(2)13-11(3)12-8-6-5-7-9-12/h5-9H,2-4H2,1H3
InChIKeyHXTIYDCVEQHBLS-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.60
Rot. Bonds4

About 1-but-1-en-2-yloxyethenylbenzene

1-but-1-en-2-yloxyethenylbenzene (PubChem CID 147866453) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-but-1-en-2-yloxyethenylbenzene.

Molecular Properties

Compound Name1-but-1-en-2-yloxyethenylbenzene
PubChem CID147866453
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-but-1-en-2-yloxyethenylbenzene
SMILESC=C(CC)OC(=C)c1ccccc1
InChIInChI=1S/C12H14O/c1-4-10(2)13-11(3)12-8-6-5-7-9-12/h5-9H,2-4H2,1H3
InChIKeyHXTIYDCVEQHBLS-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-phenylethenyl carbonate
CID 10081285
bis(1-phenylethenyl) propanedioate
CID 89421618
1-phenylethenyl 2-chloroacetate
CID 13032777
bis(1-phenylethenyl) (Z)-but-2-enedioate
CID 174301513
pent-1-en-2-yl benzoate
CID 13444592
1-phenylethenyl but-2-enoate
CID 68623165
1-phenylethenoxymethylsilane
CID 165045488
ethoxyethane;1-phenylethenylbenzene
CID 69353422
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
2-methylidene-1-phenylbutan-1-one
CID 11788458
1-dimethylphosphoryloxyethenylbenzene
CID 12869457
pent-1-en-2-ylbenzene
CID 521761

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yloxyethenylbenzene?
The IUPAC name of 1-but-1-en-2-yloxyethenylbenzene (CID 147866453) is 1-but-1-en-2-yloxyethenylbenzene.
What is the SMILES notation for 1-but-1-en-2-yloxyethenylbenzene?
The canonical SMILES for 1-but-1-en-2-yloxyethenylbenzene is C=C(CC)OC(=C)c1ccccc1.
What is the InChIKey of 1-but-1-en-2-yloxyethenylbenzene?
The InChIKey is HXTIYDCVEQHBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-4-10(2)13-11(3)12-8-6-5-7-9-12/h5-9H,2-4H2,1H3.
What are the key properties of 1-but-1-en-2-yloxyethenylbenzene?
1-but-1-en-2-yloxyethenylbenzene has a molecular weight of 174.24 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yloxyethenylbenzene is sourced from PubChem (CID 147866453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).