1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one

C19H22O2 — CID 62034166

IUPAC1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one
SMILESCc1cc(OCC(=O)Cc2ccccc2)cc(C(C)C)c1
InChIInChI=1S/C19H22O2/c1-14(2)17-9-15(3)10-19(12-17)21-13-18(20)11-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3
InChIKeyRAOIGMAWIBLCQJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.31
Rot. Bonds6

About 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one

1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one (PubChem CID 62034166) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one
PubChem CID62034166
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one
SMILESCc1cc(OCC(=O)Cc2ccccc2)cc(C(C)C)c1
InChIInChI=1S/C19H22O2/c1-14(2)17-9-15(3)10-19(12-17)21-13-18(20)11-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3
InChIKeyRAOIGMAWIBLCQJ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 62044718
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
1-(3-acetylphenoxy)-3-phenylpropan-2-one
CID 62030816
1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 60625222
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-(3,4-dimethylphenyl)-3-phenoxypropan-2-one
CID 62716544
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567450
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
CID 110834191

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one?
The IUPAC name of 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one (CID 62034166) is 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one.
What is the SMILES notation for 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one?
The canonical SMILES for 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one is Cc1cc(OCC(=O)Cc2ccccc2)cc(C(C)C)c1.
What is the InChIKey of 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one?
The InChIKey is RAOIGMAWIBLCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)17-9-15(3)10-19(12-17)21-13-18(20)11-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one?
1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one has a molecular weight of 282.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one is sourced from PubChem (CID 62034166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).