2-(1,1-diphenylethyl)propanedioyl dichloride

C17H14Cl2O2 — CID 139978063

IUPAC2-(1,1-diphenylethyl)propanedioyl dichloride
SMILESCC(c1ccccc1)(c1ccccc1)C(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C17H14Cl2O2/c1-17(12-8-4-2-5-9-12,13-10-6-3-7-11-13)14(15(18)20)16(19)21/h2-11,14H,1H3
InChIKeyRQVIARFULRXUEE-UHFFFAOYSA-N
MW321.20 g/mol
LogP4.14
Rot. Bonds5

About 2-(1,1-diphenylethyl)propanedioyl dichloride

2-(1,1-diphenylethyl)propanedioyl dichloride (PubChem CID 139978063) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-(1,1-diphenylethyl)propanedioyl dichloride.

Molecular Properties

Compound Name2-(1,1-diphenylethyl)propanedioyl dichloride
PubChem CID139978063
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name2-(1,1-diphenylethyl)propanedioyl dichloride
SMILESCC(c1ccccc1)(c1ccccc1)C(C(=O)Cl)C(=O)Cl
InChIInChI=1S/C17H14Cl2O2/c1-17(12-8-4-2-5-9-12,13-10-6-3-7-11-13)14(15(18)20)16(19)21/h2-11,14H,1H3
InChIKeyRQVIARFULRXUEE-UHFFFAOYSA-N
XLogP4.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-diphenylethyl)propanediamide
CID 175584560
ethyl 2-carbonochloridoyl-3-methyl-3-phenylbutanoate
CID 24974939
2,2-dibromo-2-phenylacetyl chloride
CID 56990356
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid
CID 140623403
2-cyano-3,3-diphenylbutanoic acid
CID 19781187
S-(2-phenylpropan-2-yl) chloromethanethioate
CID 13089654
2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336
(1-chloro-1,2-diphenylpropan-2-yl)benzene
CID 146405776
tert-butyl 3-chloro-3-oxo-2-phenylpropanoate
CID 20529658
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diphenylethyl)propanedioyl dichloride?
The IUPAC name of 2-(1,1-diphenylethyl)propanedioyl dichloride (CID 139978063) is 2-(1,1-diphenylethyl)propanedioyl dichloride.
What is the SMILES notation for 2-(1,1-diphenylethyl)propanedioyl dichloride?
The canonical SMILES for 2-(1,1-diphenylethyl)propanedioyl dichloride is CC(c1ccccc1)(c1ccccc1)C(C(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-(1,1-diphenylethyl)propanedioyl dichloride?
The InChIKey is RQVIARFULRXUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c1-17(12-8-4-2-5-9-12,13-10-6-3-7-11-13)14(15(18)20)16(19)21/h2-11,14H,1H3.
What are the key properties of 2-(1,1-diphenylethyl)propanedioyl dichloride?
2-(1,1-diphenylethyl)propanedioyl dichloride has a molecular weight of 321.20 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diphenylethyl)propanedioyl dichloride is sourced from PubChem (CID 139978063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).