chlorobenzene;2-chloro-1-phenylethanone

C14H12Cl2O — CID 21408930

IUPACchlorobenzene;2-chloro-1-phenylethanone
SMILESClc1ccccc1.O=C(CCl)c1ccccc1
InChIInChI=1S/C8H7ClO.C6H5Cl/c9-6-8(10)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5H,6H2;1-5H
InChIKeyTXVGPZCZLIRRAN-UHFFFAOYSA-N
MW267.15 g/mol
LogP4.45
Rot. Bonds2

About chlorobenzene;2-chloro-1-phenylethanone

chlorobenzene;2-chloro-1-phenylethanone (PubChem CID 21408930) has the molecular formula C14H12Cl2O and a molecular weight of 267.15 g/mol. Its IUPAC name is chlorobenzene;2-chloro-1-phenylethanone.

Molecular Properties

Compound Namechlorobenzene;2-chloro-1-phenylethanone
PubChem CID21408930
Molecular FormulaC14H12Cl2O
Molecular Weight267.15 g/mol
Exact Mass266.03
IUPAC Namechlorobenzene;2-chloro-1-phenylethanone
SMILESClc1ccccc1.O=C(CCl)c1ccccc1
InChIInChI=1S/C8H7ClO.C6H5Cl/c9-6-8(10)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5H,6H2;1-5H
InChIKeyTXVGPZCZLIRRAN-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 54.45
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-chloro-1-phenylethanone;6-fluorobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 21408998
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
CID 174473009
CID 173152165
CID 173152165
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
benzene;chlorobenzene
CID 159657667
1-(4-chlorophenyl)-3-oxo-3-phenylpropane-1-sulfonic acid
CID 58077556
butane-2,3-dione;chlorobenzene
CID 157270090
benzene;2-hydroxy-1-phenylethanone
CID 174663024
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;2-chloro-1-phenylethanone?
The IUPAC name of chlorobenzene;2-chloro-1-phenylethanone (CID 21408930) is chlorobenzene;2-chloro-1-phenylethanone.
What is the SMILES notation for chlorobenzene;2-chloro-1-phenylethanone?
The canonical SMILES for chlorobenzene;2-chloro-1-phenylethanone is Clc1ccccc1.O=C(CCl)c1ccccc1.
What is the InChIKey of chlorobenzene;2-chloro-1-phenylethanone?
The InChIKey is TXVGPZCZLIRRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO.C6H5Cl/c9-6-8(10)7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5H,6H2;1-5H.
What are the key properties of chlorobenzene;2-chloro-1-phenylethanone?
chlorobenzene;2-chloro-1-phenylethanone has a molecular weight of 267.15 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;2-chloro-1-phenylethanone is sourced from PubChem (CID 21408930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).