1-ethyl-3-prop-1-en-2-ylbenzene

C11H14 — CID 14178225

IUPAC1-ethyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(CC)c1
InChIInChI=1S/C11H14/c1-4-10-6-5-7-11(8-10)9(2)3/h5-8H,2,4H2,1,3H3
InChIKeyVNMBZYVZFQOLPY-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.28
Rot. Bonds2

About 1-ethyl-3-prop-1-en-2-ylbenzene

1-ethyl-3-prop-1-en-2-ylbenzene (PubChem CID 14178225) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-ethyl-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-ethyl-3-prop-1-en-2-ylbenzene
PubChem CID14178225
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1-ethyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(CC)c1
InChIInChI=1S/C11H14/c1-4-10-6-5-7-11(8-10)9(2)3/h5-8H,2,4H2,1,3H3
InChIKeyVNMBZYVZFQOLPY-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
(E)-3-(3-prop-1-en-2-ylphenyl)prop-1-en-1-amine
CID 134297759
CID 23599187
CID 23599187
3-ethylbenzoic acid;propane
CID 177324794
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
1-(2-benzhydrylprop-2-enyl)-3-prop-1-en-2-ylbenzene
CID 59268378
1-[2-(3-prop-1-en-2-ylphenyl)ethyl]pyrrolidine
CID 22250733
1,3-diethylbenzene;2,4,4-trimethylpent-1-ene
CID 170590525
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
chloro 3-ethylbenzoate
CID 142246460
3-ethyl-N-methylbenzamide
CID 59115297

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1-ethyl-3-prop-1-en-2-ylbenzene (CID 14178225) is 1-ethyl-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-ethyl-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-ethyl-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(CC)c1.
What is the InChIKey of 1-ethyl-3-prop-1-en-2-ylbenzene?
The InChIKey is VNMBZYVZFQOLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-4-10-6-5-7-11(8-10)9(2)3/h5-8H,2,4H2,1,3H3.
What are the key properties of 1-ethyl-3-prop-1-en-2-ylbenzene?
1-ethyl-3-prop-1-en-2-ylbenzene has a molecular weight of 146.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 14178225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).