1-chloro-2-[(E)-prop-1-enyl]benzene;ethane

C11H15Cl — CID 144702462

IUPAC1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
SMILESC/C=C/c1ccccc1Cl.CC
InChIInChI=1S/C9H9Cl.C2H6/c1-2-5-8-6-3-4-7-9(8)10;1-2/h2-7H,1H3;1-2H3/b5-2+;
InChIKeyUYKRYHGWNUOCSN-DPZBITMOSA-N
MW182.69 g/mol
LogP4.40
Rot. Bonds1

About 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane

1-chloro-2-[(E)-prop-1-enyl]benzene;ethane (PubChem CID 144702462) has the molecular formula C11H15Cl and a molecular weight of 182.69 g/mol. Its IUPAC name is 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane.

Molecular Properties

Compound Name1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
PubChem CID144702462
Molecular FormulaC11H15Cl
Molecular Weight182.69 g/mol
Exact Mass182.09
IUPAC Name1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
SMILESC/C=C/c1ccccc1Cl.CC
InChIInChI=1S/C9H9Cl.C2H6/c1-2-5-8-6-3-4-7-9(8)10;1-2/h2-7H,1H3;1-2H3/b5-2+;
InChIKeyUYKRYHGWNUOCSN-DPZBITMOSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.69
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 102035541
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane?
The IUPAC name of 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane (CID 144702462) is 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane.
What is the SMILES notation for 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane?
The canonical SMILES for 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane is C/C=C/c1ccccc1Cl.CC.
What is the InChIKey of 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane?
The InChIKey is UYKRYHGWNUOCSN-DPZBITMOSA-N. The full InChI is InChI=1S/C9H9Cl.C2H6/c1-2-5-8-6-3-4-7-9(8)10;1-2/h2-7H,1H3;1-2H3/b5-2+;.
What are the key properties of 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane?
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane has a molecular weight of 182.69 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-prop-1-enyl]benzene;ethane is sourced from PubChem (CID 144702462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).