4-[(Z)-2-phenylethenyl]benzoyl chloride

C15H11ClO — CID 12836536

IUPAC4-[(Z)-2-phenylethenyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(/C=C\c2ccccc2)cc1
InChIInChI=1S/C15H11ClO/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-
InChIKeyFTGYTJSRQLHCTD-SREVYHEPSA-N
MW242.71 g/mol
LogP4.24
Rot. Bonds3

About 4-[(Z)-2-phenylethenyl]benzoyl chloride

4-[(Z)-2-phenylethenyl]benzoyl chloride (PubChem CID 12836536) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-[(Z)-2-phenylethenyl]benzoyl chloride.

Molecular Properties

Compound Name4-[(Z)-2-phenylethenyl]benzoyl chloride
PubChem CID12836536
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name4-[(Z)-2-phenylethenyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(/C=C\c2ccccc2)cc1
InChIInChI=1S/C15H11ClO/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-
InChIKeyFTGYTJSRQLHCTD-SREVYHEPSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-carbonochloridoylphenyl)prop-2-enoic acid
CID 85441841
4-amino-3-(2-phenylethenyl)benzoyl chloride
CID 174665698
benzoyl chloride;selane
CID 174449470
benzoyl chloride;hydrazine
CID 19933227
acetic acid;stilbene
CID 172803728
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
benzoyl chloride;chromium;formaldehyde
CID 173282114
benzoic acid;benzoyl chloride
CID 87427055
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
4-(4-formylphenyl)benzoyl chloride
CID 89223332
4-(2-phenylethynyl)benzoyl chloride
CID 11413793

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-phenylethenyl]benzoyl chloride?
The IUPAC name of 4-[(Z)-2-phenylethenyl]benzoyl chloride (CID 12836536) is 4-[(Z)-2-phenylethenyl]benzoyl chloride.
What is the SMILES notation for 4-[(Z)-2-phenylethenyl]benzoyl chloride?
The canonical SMILES for 4-[(Z)-2-phenylethenyl]benzoyl chloride is O=C(Cl)c1ccc(/C=C\c2ccccc2)cc1.
What is the InChIKey of 4-[(Z)-2-phenylethenyl]benzoyl chloride?
The InChIKey is FTGYTJSRQLHCTD-SREVYHEPSA-N. The full InChI is InChI=1S/C15H11ClO/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-.
What are the key properties of 4-[(Z)-2-phenylethenyl]benzoyl chloride?
4-[(Z)-2-phenylethenyl]benzoyl chloride has a molecular weight of 242.71 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-phenylethenyl]benzoyl chloride is sourced from PubChem (CID 12836536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).