2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C19H26O2 — CID 102646790

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)C1=CCCCO1
InChIInChI=1S/C19H26O2/c1-13-10-15(19(3,4)5)11-14(2)16(13)12-17(20)18-8-6-7-9-21-18/h8,10-11H,6-7,9,12H2,1-5H3
InChIKeyAPKGHQULCXDQCL-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.41
Rot. Bonds3

About 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102646790) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102646790
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(=O)C1=CCCCO1
InChIInChI=1S/C19H26O2/c1-13-10-15(19(3,4)5)11-14(2)16(13)12-17(20)18-8-6-7-9-21-18/h8,10-11H,6-7,9,12H2,1-5H3
InChIKeyAPKGHQULCXDQCL-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 102648692
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102654604
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648313
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
1-(2,3-dihydrofuran-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 102650916
1-(2,3-dihydrofuran-5-yl)-2-(2-methylphenyl)ethanone
CID 102650891
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648441
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648355
1-(3-bromofuran-2-yl)-2-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 63943797
3,4-dihydro-2H-pyran-6-yl-(5-methylpyrimidin-2-yl)methanone
CID 102647009
2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648423

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102646790) is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is Cc1cc(C(C)(C)C)cc(C)c1CC(=O)C1=CCCCO1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is APKGHQULCXDQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-13-10-15(19(3,4)5)11-14(2)16(13)12-17(20)18-8-6-7-9-21-18/h8,10-11H,6-7,9,12H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102646790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).