1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene

C12H13Cl — CID 89271793

IUPAC1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1c(Cl)cccc1C1CC1
InChIInChI=1S/C12H13Cl/c1-2-4-11-10(9-7-8-9)5-3-6-12(11)13/h2-6,9H,7-8H2,1H3/b4-2+
InChIKeyCJYZJAGJTZPEAO-DUXPYHPUSA-N
MW192.69 g/mol
LogP4.25
Rot. Bonds2

About 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene

1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene (PubChem CID 89271793) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene
PubChem CID89271793
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1c(Cl)cccc1C1CC1
InChIInChI=1S/C12H13Cl/c1-2-4-11-10(9-7-8-9)5-3-6-12(11)13/h2-6,9H,7-8H2,1H3/b4-2+
InChIKeyCJYZJAGJTZPEAO-DUXPYHPUSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene (CID 89271793) is 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene is C/C=C/c1c(Cl)cccc1C1CC1.
What is the InChIKey of 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene?
The InChIKey is CJYZJAGJTZPEAO-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H13Cl/c1-2-4-11-10(9-7-8-9)5-3-6-12(11)13/h2-6,9H,7-8H2,1H3/b4-2+.
What are the key properties of 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene?
1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene has a molecular weight of 192.69 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-cyclopropyl-2-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 89271793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).