4-[4-(1-chloroethenyl)phenyl]benzoyl chloride

C15H10Cl2O — CID 145140793

IUPAC4-[4-(1-chloroethenyl)phenyl]benzoyl chloride
SMILESC=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C15H10Cl2O/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(17)18/h2-9H,1H2
InChIKeyXUKKCIJCVHXGIH-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.94
Rot. Bonds3

About 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride

4-[4-(1-chloroethenyl)phenyl]benzoyl chloride (PubChem CID 145140793) has the molecular formula C15H10Cl2O and a molecular weight of 277.15 g/mol. Its IUPAC name is 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride.

Molecular Properties

Compound Name4-[4-(1-chloroethenyl)phenyl]benzoyl chloride
PubChem CID145140793
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name4-[4-(1-chloroethenyl)phenyl]benzoyl chloride
SMILESC=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1
InChIInChI=1S/C15H10Cl2O/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(17)18/h2-9H,1H2
InChIKeyXUKKCIJCVHXGIH-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxyphenyl)benzoyl chloride
CID 87880031
4-(4-formylphenyl)benzoyl chloride
CID 89223332
4-methylbenzoyl chloride
CID 13405
4-(4-phenylphenoxy)benzoyl chloride
CID 23319474
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
4-carbonochloridoylbenzenecarbothioic S-acid
CID 11112864
CID 11070855
CID 11070855
2-(4-phenylphenyl)prop-2-enoyl chloride
CID 87645209
4-(3-chloropropyl)benzoyl chloride
CID 86624859
4-(2-chloro-2-oxoethyl)benzoyl chloride
CID 101055805
4-(2,6-dimethylphenyl)benzoyl chloride
CID 87540667
4-[hydroxy(oxido)amino]benzoyl chloride
CID 21139736

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride?
The IUPAC name of 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride (CID 145140793) is 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride.
What is the SMILES notation for 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride?
The canonical SMILES for 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride is C=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1.
What is the InChIKey of 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride?
The InChIKey is XUKKCIJCVHXGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(17)18/h2-9H,1H2.
What are the key properties of 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride?
4-[4-(1-chloroethenyl)phenyl]benzoyl chloride has a molecular weight of 277.15 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-chloroethenyl)phenyl]benzoyl chloride is sourced from PubChem (CID 145140793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).