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

C16H15ClO2 — CID 43800825

IUPAC1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone
SMILESO=C(COCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c17-15-8-6-14(7-9-15)16(18)12-19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyZBJKWNPCUBARHO-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.78
Rot. Bonds6

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

1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone (PubChem CID 43800825) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone
PubChem CID43800825
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone
SMILESO=C(COCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO2/c17-15-8-6-14(7-9-15)16(18)12-19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyZBJKWNPCUBARHO-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
CID 43800835
2-[2-(4-chlorophenyl)-2-oxoethoxy]acetic acid
CID 61328747
1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800820
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198
[2-(4-chlorophenyl)-2-oxoethyl] 2-(dibenzylamino)acetate
CID 21236014
1-(4-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448325
3-phenylpropyl 4-chlorobenzoate
CID 576426
2-phenacyloxy-1-phenylethanone
CID 12781821
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
1-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62029259

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone (CID 43800825) is 1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone is O=C(COCCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone?
The InChIKey is ZBJKWNPCUBARHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c17-15-8-6-14(7-9-15)16(18)12-19-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone?
1-(4-chlorophenyl)-2-(2-phenylethoxy)ethanone has a molecular weight of 274.75 g/mol, XLogP of 3.78, 6 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-phenylethoxy)ethanone is sourced from PubChem (CID 43800825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).