1-but-2-enyl-4-(2-chloroethyl)benzene

C12H15Cl — CID 175436209

IUPAC1-but-2-enyl-4-(2-chloroethyl)benzene
SMILESCC=CCc1ccc(CCCl)cc1
InChIInChI=1S/C12H15Cl/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h2-3,5-8H,4,9-10H2,1H3
InChIKeyALGOACGLKKVNMB-UHFFFAOYSA-N
MW194.70 g/mol
LogP3.59
Rot. Bonds4

About 1-but-2-enyl-4-(2-chloroethyl)benzene

1-but-2-enyl-4-(2-chloroethyl)benzene (PubChem CID 175436209) has the molecular formula C12H15Cl and a molecular weight of 194.70 g/mol. Its IUPAC name is 1-but-2-enyl-4-(2-chloroethyl)benzene.

Molecular Properties

Compound Name1-but-2-enyl-4-(2-chloroethyl)benzene
PubChem CID175436209
Molecular FormulaC12H15Cl
Molecular Weight194.70 g/mol
Exact Mass194.09
IUPAC Name1-but-2-enyl-4-(2-chloroethyl)benzene
SMILESCC=CCc1ccc(CCCl)cc1
InChIInChI=1S/C12H15Cl/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h2-3,5-8H,4,9-10H2,1H3
InChIKeyALGOACGLKKVNMB-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.70
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enyl]-4-propylbenzene
CID 12579285
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698
1-[4-[(E)-but-2-enyl]phenyl]-4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]benzene
CID 140774680
1-[(E)-but-2-enyl]-4-fluorobenzene
CID 13240703
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
but-2-enylbenzene;prop-1-ene
CID 159250462
(4-but-2-enylphenyl) dihydrogen phosphate
CID 154126287
but-2-enylbenzene;3-methylbut-3-enylbenzene
CID 157229371
but-2-enylbenzene;ethylbenzene
CID 162289742
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
[4-[(E)-but-2-enyl]phenyl] acetate
CID 56613774
methyl 4-[(Z)-but-2-enyl]benzoate
CID 102391629

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-4-(2-chloroethyl)benzene?
The IUPAC name of 1-but-2-enyl-4-(2-chloroethyl)benzene (CID 175436209) is 1-but-2-enyl-4-(2-chloroethyl)benzene.
What is the SMILES notation for 1-but-2-enyl-4-(2-chloroethyl)benzene?
The canonical SMILES for 1-but-2-enyl-4-(2-chloroethyl)benzene is CC=CCc1ccc(CCCl)cc1.
What is the InChIKey of 1-but-2-enyl-4-(2-chloroethyl)benzene?
The InChIKey is ALGOACGLKKVNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl/c1-2-3-4-11-5-7-12(8-6-11)9-10-13/h2-3,5-8H,4,9-10H2,1H3.
What are the key properties of 1-but-2-enyl-4-(2-chloroethyl)benzene?
1-but-2-enyl-4-(2-chloroethyl)benzene has a molecular weight of 194.70 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-4-(2-chloroethyl)benzene is sourced from PubChem (CID 175436209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).