1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone

C16H22O3 — CID 151712508

IUPAC1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone
SMILESCC(=O)c1cccc(C(C)C)c1OC1CCCCO1
InChIInChI=1S/C16H22O3/c1-11(2)13-7-6-8-14(12(3)17)16(13)19-15-9-4-5-10-18-15/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyRGVVHMAXNZTZCS-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.92
Rot. Bonds4

About 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone

1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone (PubChem CID 151712508) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone
PubChem CID151712508
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone
SMILESCC(=O)c1cccc(C(C)C)c1OC1CCCCO1
InChIInChI=1S/C16H22O3/c1-11(2)13-7-6-8-14(12(3)17)16(13)19-15-9-4-5-10-18-15/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyRGVVHMAXNZTZCS-UHFFFAOYSA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethenyl-6-propan-2-ylphenoxy)oxolane
CID 139905573
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
1-[2-(4-methylpiperazin-1-yl)-4-[(2R)-oxan-2-yl]oxyphenyl]ethanone
CID 129391965
4-cyclopropyl-2-(oxan-2-yloxy)-3-propan-2-ylbenzaldehyde
CID 118899060
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274
1-(2-cyclopentyloxy-3-methylphenyl)ethanone
CID 82079338
[(1S,2R)-2-[3-(oxan-2-yloxy)phenyl]cyclohexyl] acetate
CID 56986167
4-(oxan-2-yloxy)benzoic acid
CID 11183645
1-[2-bromo-3-[(2R)-oxan-2-yl]oxyphenoxy]propan-2-one
CID 124672649
propan-2-yl 6-[4-(oxan-2-yloxy)phenyl]pyridine-2-carboxylate
CID 165153406
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
1-[5-(oxan-2-yloxy)-2-prop-2-enoxyphenyl]ethanone
CID 12566051

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone?
The IUPAC name of 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone (CID 151712508) is 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone.
What is the SMILES notation for 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone?
The canonical SMILES for 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone is CC(=O)c1cccc(C(C)C)c1OC1CCCCO1.
What is the InChIKey of 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone?
The InChIKey is RGVVHMAXNZTZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(2)13-7-6-8-14(12(3)17)16(13)19-15-9-4-5-10-18-15/h6-8,11,15H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone?
1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-yloxy)-3-propan-2-ylphenyl]ethanone is sourced from PubChem (CID 151712508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).