3-phenylpentanedioyl dichloride

C11H10Cl2O2 — CID 19103905

IUPAC3-phenylpentanedioyl dichloride
SMILESO=C(Cl)CC(CC(=O)Cl)c1ccccc1
InChIInChI=1S/C11H10Cl2O2/c12-10(14)6-9(7-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyCOGSBWUZTAWTMC-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.08
Rot. Bonds5

About 3-phenylpentanedioyl dichloride

3-phenylpentanedioyl dichloride (PubChem CID 19103905) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 3-phenylpentanedioyl dichloride.

Molecular Properties

Compound Name3-phenylpentanedioyl dichloride
PubChem CID19103905
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name3-phenylpentanedioyl dichloride
SMILESO=C(Cl)CC(CC(=O)Cl)c1ccccc1
InChIInChI=1S/C11H10Cl2O2/c12-10(14)6-9(7-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyCOGSBWUZTAWTMC-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-phenylpentanoyl chloride
CID 42074098
(3-chloro-3-oxo-1-phenylpropyl)-methylphosphinic acid
CID 88803558
3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
CID 11290437
(3R)-6,6,6-trifluoro-5-oxo-3-phenylhexanoic acid
CID 11459617
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
ethane;3-phenylpentanoic acid
CID 142147200
(4R)-5-fluoro-4-phenylpentan-2-one
CID 101477163
3-chloro-3-phenylpropanoic acid
CID 22742526
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
(3S)-1-(4-chlorophenyl)-3-phenylhexane-1,5-dione
CID 46242276
(3R)-3,5-diphenylpentanoic acid
CID 821797
3-(4-phenoxyphenyl)pentanedioic acid
CID 170564926

Frequently Asked Questions

What is the IUPAC name of 3-phenylpentanedioyl dichloride?
The IUPAC name of 3-phenylpentanedioyl dichloride (CID 19103905) is 3-phenylpentanedioyl dichloride.
What is the SMILES notation for 3-phenylpentanedioyl dichloride?
The canonical SMILES for 3-phenylpentanedioyl dichloride is O=C(Cl)CC(CC(=O)Cl)c1ccccc1.
What is the InChIKey of 3-phenylpentanedioyl dichloride?
The InChIKey is COGSBWUZTAWTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c12-10(14)6-9(7-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 3-phenylpentanedioyl dichloride?
3-phenylpentanedioyl dichloride has a molecular weight of 245.10 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpentanedioyl dichloride is sourced from PubChem (CID 19103905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).