2-chloro-1,2,2-triphenylethanone

C20H15ClO — CID 11301235

IUPAC2-chloro-1,2,2-triphenylethanone
SMILESO=C(c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15ClO/c21-20(17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(22)16-10-4-1-5-11-16/h1-15H
InChIKeyKASKCJQAQRQTMH-UHFFFAOYSA-N
MW306.79 g/mol
LogP5.05
Rot. Bonds4

About 2-chloro-1,2,2-triphenylethanone

2-chloro-1,2,2-triphenylethanone (PubChem CID 11301235) has the molecular formula C20H15ClO and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-chloro-1,2,2-triphenylethanone.

Molecular Properties

Compound Name2-chloro-1,2,2-triphenylethanone
PubChem CID11301235
Molecular FormulaC20H15ClO
Molecular Weight306.79 g/mol
Exact Mass306.08
IUPAC Name2-chloro-1,2,2-triphenylethanone
SMILESO=C(c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15ClO/c21-20(17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(22)16-10-4-1-5-11-16/h1-15H
InChIKeyKASKCJQAQRQTMH-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.79
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-2,2-difluoro-1-phenylethanone
CID 167455502
2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone
CID 70447241
[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
CID 12666774
3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one
CID 150106671
dichloro(phenyl)methanol
CID 25493
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
CID 57211596
CID 57211596
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
2-hydroxy-3-oxo-2,3-diphenylpropanal
CID 87459670
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
4-[dichloro(phenyl)methyl]benzoic acid
CID 57006403

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,2,2-triphenylethanone?
The IUPAC name of 2-chloro-1,2,2-triphenylethanone (CID 11301235) is 2-chloro-1,2,2-triphenylethanone.
What is the SMILES notation for 2-chloro-1,2,2-triphenylethanone?
The canonical SMILES for 2-chloro-1,2,2-triphenylethanone is O=C(c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-1,2,2-triphenylethanone?
The InChIKey is KASKCJQAQRQTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO/c21-20(17-12-6-2-7-13-17,18-14-8-3-9-15-18)19(22)16-10-4-1-5-11-16/h1-15H.
What are the key properties of 2-chloro-1,2,2-triphenylethanone?
2-chloro-1,2,2-triphenylethanone has a molecular weight of 306.79 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,2,2-triphenylethanone is sourced from PubChem (CID 11301235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).