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

C18H20O2 — CID 43800835

IUPAC1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
SMILESCCc1ccc(C(=O)COCCc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-2-15-8-10-17(11-9-15)18(19)14-20-13-12-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3
InChIKeyRPFLYMFXBCHYAP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.69
Rot. Bonds7

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

1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone (PubChem CID 43800835) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
PubChem CID43800835
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone
SMILESCCc1ccc(C(=O)COCCc2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-2-15-8-10-17(11-9-15)18(19)14-20-13-12-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3
InChIKeyRPFLYMFXBCHYAP-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.69
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-chlorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800825
1-(4-ethylphenyl)-2-(2-propoxyethoxy)ethanone
CID 63684932
1-(4-ethylphenyl)-2-heptoxyethanone
CID 43800138
2-but-3-enoxy-1-(4-ethylphenyl)ethanone
CID 62031033
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-(4-ethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62031543
[2-(4-ethylphenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191528
4-(2-phenylethoxymethyl)benzoic acid
CID 28994595
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800820
1-(4-aminophenyl)-2-[2-(5-ethyl-2-pyridinyl)ethoxy]ethanone
CID 69354828
2-phenacyloxy-1-phenylethanone
CID 12781821

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone (CID 43800835) is 1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone is CCc1ccc(C(=O)COCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone?
The InChIKey is RPFLYMFXBCHYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-15-8-10-17(11-9-15)18(19)14-20-13-12-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone?
1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone has a molecular weight of 268.36 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-phenylethoxy)ethanone is sourced from PubChem (CID 43800835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).