1-[(E)-but-2-en-2-yl]-3-chlorobenzene

C10H11Cl — CID 20717800

IUPAC1-[(E)-but-2-en-2-yl]-3-chlorobenzene
SMILESC/C=C(\C)c1cccc(Cl)c1
InChIInChI=1S/C10H11Cl/c1-3-8(2)9-5-4-6-10(11)7-9/h3-7H,1-2H3/b8-3+
InChIKeyFZLLBJBHMRQFDP-FPYGCLRLSA-N
MW166.65 g/mol
LogP3.76
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-3-chlorobenzene

1-[(E)-but-2-en-2-yl]-3-chlorobenzene (PubChem CID 20717800) has the molecular formula C10H11Cl and a molecular weight of 166.65 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-3-chlorobenzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-3-chlorobenzene
PubChem CID20717800
Molecular FormulaC10H11Cl
Molecular Weight166.65 g/mol
Exact Mass166.05
IUPAC Name1-[(E)-but-2-en-2-yl]-3-chlorobenzene
SMILESC/C=C(\C)c1cccc(Cl)c1
InChIInChI=1S/C10H11Cl/c1-3-8(2)9-5-4-6-10(11)7-9/h3-7H,1-2H3/b8-3+
InChIKeyFZLLBJBHMRQFDP-FPYGCLRLSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-3-chlorobenzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-3-chlorobenzene (CID 20717800) is 1-[(E)-but-2-en-2-yl]-3-chlorobenzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-3-chlorobenzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-3-chlorobenzene is C/C=C(\C)c1cccc(Cl)c1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-3-chlorobenzene?
The InChIKey is FZLLBJBHMRQFDP-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H11Cl/c1-3-8(2)9-5-4-6-10(11)7-9/h3-7H,1-2H3/b8-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-3-chlorobenzene?
1-[(E)-but-2-en-2-yl]-3-chlorobenzene has a molecular weight of 166.65 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-3-chlorobenzene is sourced from PubChem (CID 20717800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).