2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone

C18H16Cl2O3 — CID 58209553

IUPAC2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone
SMILESO=C(CCl)c1ccc(COCc2ccc(C(=O)CCl)cc2)cc1
InChIInChI=1S/C18H16Cl2O3/c19-9-17(21)15-5-1-13(2-6-15)11-23-12-14-3-7-16(8-4-14)18(22)10-20/h1-8H,9-12H2
InChIKeyGEGZYFGIYOZVSB-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.25
Rot. Bonds8

About 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone

2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone (PubChem CID 58209553) has the molecular formula C18H16Cl2O3 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone
PubChem CID58209553
Molecular FormulaC18H16Cl2O3
Molecular Weight351.23 g/mol
Exact Mass350.05
IUPAC Name2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone
SMILESO=C(CCl)c1ccc(COCc2ccc(C(=O)CCl)cc2)cc1
InChIInChI=1S/C18H16Cl2O3/c19-9-17(21)15-5-1-13(2-6-15)11-23-12-14-3-7-16(8-4-14)18(22)10-20/h1-8H,9-12H2
InChIKeyGEGZYFGIYOZVSB-UHFFFAOYSA-N
XLogP4.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
[4-(2-chloroacetyl)phenyl] carbamate
CID 118695962
1-chloro-3-[(4-chlorophenyl)methoxy]propan-2-one
CID 170561692
N-[2-[4-(2-chloroacetyl)phenyl]ethyl]methanesulfonamide
CID 7131893
4-[2-[(4-chlorophenyl)methoxy]acetyl]benzonitrile
CID 65126529
4-[(4-tritylphenyl)methoxymethyl]benzoic acid
CID 174525236
N-[4-[4-(2-chloroacetyl)phenyl]butan-2-yl]acetamide
CID 4962168
4-(2-oxoethoxymethyl)benzoic acid
CID 23344103
1-chloro-4-phenylmethoxybutane-2,3-dione
CID 87706836
dichloromethane;phenylmethoxymethylbenzene
CID 174530379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone?
The IUPAC name of 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone (CID 58209553) is 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone?
The canonical SMILES for 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone is O=C(CCl)c1ccc(COCc2ccc(C(=O)CCl)cc2)cc1.
What is the InChIKey of 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone?
The InChIKey is GEGZYFGIYOZVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O3/c19-9-17(21)15-5-1-13(2-6-15)11-23-12-14-3-7-16(8-4-14)18(22)10-20/h1-8H,9-12H2.
What are the key properties of 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone?
2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone has a molecular weight of 351.23 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone is sourced from PubChem (CID 58209553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).