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

C9H9Cl — CID 14419677

IUPAC1-chloro-2-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccccc1Cl
InChIInChI=1S/C9H9Cl/c1-2-5-8-6-3-4-7-9(8)10/h2-7H,1H3/b5-2+
InChIKeyIGKJZZNHGRQLAI-GORDUTHDSA-N
MW152.62 g/mol
LogP3.37
Rot. Bonds1

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

1-chloro-2-[(E)-prop-1-enyl]benzene (PubChem CID 14419677) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is 1-chloro-2-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-prop-1-enyl]benzene
PubChem CID14419677
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name1-chloro-2-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccccc1Cl
InChIInChI=1S/C9H9Cl/c1-2-5-8-6-3-4-7-9(8)10/h2-7H,1H3/b5-2+
InChIKeyIGKJZZNHGRQLAI-GORDUTHDSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-chloro-2-[(E)-prop-1-enyl]benzene (CID 14419677) is 1-chloro-2-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-2-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-chloro-2-[(E)-prop-1-enyl]benzene is C/C=C/c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(E)-prop-1-enyl]benzene?
The InChIKey is IGKJZZNHGRQLAI-GORDUTHDSA-N. The full InChI is InChI=1S/C9H9Cl/c1-2-5-8-6-3-4-7-9(8)10/h2-7H,1H3/b5-2+.
What are the key properties of 1-chloro-2-[(E)-prop-1-enyl]benzene?
1-chloro-2-[(E)-prop-1-enyl]benzene has a molecular weight of 152.62 g/mol, XLogP of 3.37, 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 is sourced from PubChem (CID 14419677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).