2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone

C19H22O2 — CID 43411799

IUPAC2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCCc1cccc(OCC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H22O2/c1-4-15-6-5-7-18(12-15)21-13-19(20)17-10-8-16(9-11-17)14(2)3/h5-12,14H,4,13H2,1-3H3
InChIKeyRMIBZZUVKHMENU-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.63
Rot. Bonds6

About 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone

2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43411799) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43411799
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCCc1cccc(OCC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H22O2/c1-4-15-6-5-7-18(12-15)21-13-19(20)17-10-8-16(9-11-17)14(2)3/h5-12,14H,4,13H2,1-3H3
InChIKeyRMIBZZUVKHMENU-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411800
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
3-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzaldehyde
CID 60624316
1-(4-chlorophenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412075
2-(3-ethoxyphenoxy)-1-(4-ethylphenyl)ethanone
CID 62338272
1-ethyl-3-[(4-propan-2-ylphenyl)methoxy]benzene
CID 60644477
2-(3,4-difluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43612507
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
2-(3-chloro-4-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 60624469
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone (CID 43411799) is 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone is CCc1cccc(OCC(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is RMIBZZUVKHMENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-15-6-5-7-18(12-15)21-13-19(20)17-10-8-16(9-11-17)14(2)3/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43411799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).