1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone

C17H24O2 — CID 114241844

IUPAC1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2CCOCC2C)cc1
InChIInChI=1S/C17H24O2/c1-12(2)15-6-4-14(5-7-15)10-17(18)16-8-9-19-11-13(16)3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyRNKYAVBIFAVYQJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.59
Rot. Bonds4

About 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone

1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 114241844) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID114241844
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2CCOCC2C)cc1
InChIInChI=1S/C17H24O2/c1-12(2)15-6-4-14(5-7-15)10-17(18)16-8-9-19-11-13(16)3/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyRNKYAVBIFAVYQJ-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyloxolan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968400
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116579990
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889
N-[1-hydroxy-3-(oxolan-3-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 155958813
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
CID 65409288
1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 171941294
(Z)-4-methyl-3-[(4-propan-2-ylphenyl)methyl]pent-2-enoic acid
CID 82086217
1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
CID 107179336
1-cyclopentylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-one
CID 65139009
trans-(1R,2R)-N-[[(3R)-oxolan-3-yl]methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 129377935

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone (CID 114241844) is 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)C2CCOCC2C)cc1.
What is the InChIKey of 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is RNKYAVBIFAVYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-12(2)15-6-4-14(5-7-15)10-17(18)16-8-9-19-11-13(16)3/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone?
1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxan-4-yl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 114241844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).