2-phenylcyclobut-2-ene-1-carbonyl chloride

C11H9ClO — CID 141041006

IUPAC2-phenylcyclobut-2-ene-1-carbonyl chloride
SMILESO=C(Cl)C1CC=C1c1ccccc1
InChIInChI=1S/C11H9ClO/c12-11(13)10-7-6-9(10)8-4-2-1-3-5-8/h1-6,10H,7H2
InChIKeyYYCCUOCVWNITCV-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.86
Rot. Bonds2

About 2-phenylcyclobut-2-ene-1-carbonyl chloride

2-phenylcyclobut-2-ene-1-carbonyl chloride (PubChem CID 141041006) has the molecular formula C11H9ClO and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-phenylcyclobut-2-ene-1-carbonyl chloride.

Molecular Properties

Compound Name2-phenylcyclobut-2-ene-1-carbonyl chloride
PubChem CID141041006
Molecular FormulaC11H9ClO
Molecular Weight192.65 g/mol
Exact Mass192.03
IUPAC Name2-phenylcyclobut-2-ene-1-carbonyl chloride
SMILESO=C(Cl)C1CC=C1c1ccccc1
InChIInChI=1S/C11H9ClO/c12-11(13)10-7-6-9(10)8-4-2-1-3-5-8/h1-6,10H,7H2
InChIKeyYYCCUOCVWNITCV-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenylcyclobut-2-ene-1-carbonyl chloride?
The IUPAC name of 2-phenylcyclobut-2-ene-1-carbonyl chloride (CID 141041006) is 2-phenylcyclobut-2-ene-1-carbonyl chloride.
What is the SMILES notation for 2-phenylcyclobut-2-ene-1-carbonyl chloride?
The canonical SMILES for 2-phenylcyclobut-2-ene-1-carbonyl chloride is O=C(Cl)C1CC=C1c1ccccc1.
What is the InChIKey of 2-phenylcyclobut-2-ene-1-carbonyl chloride?
The InChIKey is YYCCUOCVWNITCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO/c12-11(13)10-7-6-9(10)8-4-2-1-3-5-8/h1-6,10H,7H2.
What are the key properties of 2-phenylcyclobut-2-ene-1-carbonyl chloride?
2-phenylcyclobut-2-ene-1-carbonyl chloride has a molecular weight of 192.65 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylcyclobut-2-ene-1-carbonyl chloride is sourced from PubChem (CID 141041006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).