2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone

C16H14Cl2O2 — CID 63411878

IUPAC2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c1-2-20-14-7-4-11(5-8-14)16(19)9-12-3-6-13(17)10-15(12)18/h3-8,10H,2,9H2,1H3
InChIKeyAPMZSWNKTURXSU-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.82
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone

2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone (PubChem CID 63411878) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
PubChem CID63411878
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2O2/c1-2-20-14-7-4-11(5-8-14)16(19)9-12-3-6-13(17)10-15(12)18/h3-8,10H,2,9H2,1H3
InChIKeyAPMZSWNKTURXSU-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114967171
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 19337140
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722
2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide
CID 7910651
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone (CID 63411878) is 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone?
The InChIKey is APMZSWNKTURXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-2-20-14-7-4-11(5-8-14)16(19)9-12-3-6-13(17)10-15(12)18/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone?
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone has a molecular weight of 309.19 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 63411878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).