2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone

C19H22O2 — CID 43426881

IUPAC2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
SMILESCc1ccc(C(C)(C)C)c(OCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-14-10-11-16(19(2,3)4)18(12-14)21-13-17(20)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3
InChIKeyIVYPOPHAZQNRPJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.55
Rot. Bonds4

About 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone

2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone (PubChem CID 43426881) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
PubChem CID43426881
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone
SMILESCc1ccc(C(C)(C)C)c(OCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-14-10-11-16(19(2,3)4)18(12-14)21-13-17(20)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3
InChIKeyIVYPOPHAZQNRPJ-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129
2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
CID 19168129
2-[[2-(2-tert-butyl-5-methylphenoxy)acetyl]amino]propanoic acid
CID 16642061
2-(2-tert-butyl-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 725942
2-(2-tert-butyl-5-methylphenoxy)-N-(2-ethylphenyl)acetamide
CID 19168145
2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 19165047
4-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]-3-methoxybenzoic acid
CID 20988325
1-tert-butyl-4-methyl-2-(3-methyl-3-phenylbutoxy)benzene
CID 126571041
2-[(6-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-1-phenylethanone
CID 150180043
5-[(2-tert-butyl-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416216
2-(2-tert-butyl-5-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 675188
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone?
The IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone (CID 43426881) is 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone is Cc1ccc(C(C)(C)C)c(OCC(=O)c2ccccc2)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone?
The InChIKey is IVYPOPHAZQNRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14-10-11-16(19(2,3)4)18(12-14)21-13-17(20)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone?
2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone has a molecular weight of 282.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenoxy)-1-phenylethanone is sourced from PubChem (CID 43426881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).