1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone

C16H15ClO2 — CID 43412426

IUPAC1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-2-12-5-3-4-6-16(12)19-11-15(18)13-7-9-14(17)10-8-13/h3-10H,2,11H2,1H3
InChIKeyJPGKMGMGPGPCIT-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone

1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone (PubChem CID 43412426) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
PubChem CID43412426
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
SMILESCCc1ccccc1OCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-2-12-5-3-4-6-16(12)19-11-15(18)13-7-9-14(17)10-8-13/h3-10H,2,11H2,1H3
InChIKeyJPGKMGMGPGPCIT-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
1-(4-chlorophenyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 63566014
1-(2,5-dichlorothiophen-3-yl)-2-(2-ethylphenoxy)ethanone
CID 43220079
N-[(4-chlorophenyl)methyl]-2-(2-ethylphenoxy)-N-methylacetamide
CID 112778951
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
2-(2,5-dichlorophenoxy)-1-(4-ethylphenyl)ethanone
CID 60623167
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 2608442
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712874
2-chloro-6-[2-(4-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323687
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone (CID 43412426) is 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone is CCc1ccccc1OCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone?
The InChIKey is JPGKMGMGPGPCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-2-12-5-3-4-6-16(12)19-11-15(18)13-7-9-14(17)10-8-13/h3-10H,2,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone?
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone has a molecular weight of 274.75 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone is sourced from PubChem (CID 43412426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).