1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one

C17H17ClO2 — CID 62032160

IUPAC1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
SMILESCCc1cc(OCC(=O)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C17H17ClO2/c1-2-14-11-16(8-9-17(14)18)20-12-15(19)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3
InChIKeyGHTIEKHQZYFXAP-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.09
Rot. Bonds6

About 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one

1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one (PubChem CID 62032160) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
PubChem CID62032160
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
SMILESCCc1cc(OCC(=O)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C17H17ClO2/c1-2-14-11-16(8-9-17(14)18)20-12-15(19)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3
InChIKeyGHTIEKHQZYFXAP-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7642627
2-(4-chloro-3-ethylphenoxy)-N-phenylacetamide
CID 7642625
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
2-(4-chloro-3-ethylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567105
(E)-4-(4-chloro-3-ethylphenoxy)-3-methylbut-2-enoic acid
CID 55236326
2-(4-chloro-3-ethylphenoxy)-1-(3-methylphenyl)ethanone
CID 63567266
2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7642640
1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62028938
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 112775393

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one?
The IUPAC name of 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one (CID 62032160) is 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one?
The canonical SMILES for 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one is CCc1cc(OCC(=O)Cc2ccccc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one?
The InChIKey is GHTIEKHQZYFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-2-14-11-16(8-9-17(14)18)20-12-15(19)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3.
What are the key properties of 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one?
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one has a molecular weight of 288.77 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one is sourced from PubChem (CID 62032160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).