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

C11H13Cl — CID 143310954

IUPAC1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(Cl)cccc1CC
InChIInChI=1S/C11H13Cl/c1-4-9-6-5-7-10(12)11(9)8(2)3/h5-7H,2,4H2,1,3H3
InChIKeyJMYGTIWWCKMXKO-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.94
Rot. Bonds2

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

1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene (PubChem CID 143310954) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene
PubChem CID143310954
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(Cl)cccc1CC
InChIInChI=1S/C11H13Cl/c1-4-9-6-5-7-10(12)11(9)8(2)3/h5-7H,2,4H2,1,3H3
InChIKeyJMYGTIWWCKMXKO-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene (CID 143310954) is 1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene is C=C(C)c1c(Cl)cccc1CC.
What is the InChIKey of 1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene?
The InChIKey is JMYGTIWWCKMXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-4-9-6-5-7-10(12)11(9)8(2)3/h5-7H,2,4H2,1,3H3.
What are the key properties of 1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene?
1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143310954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).