2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone

C16H22O3 — CID 113391238

IUPAC2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1C(=O)CC1CCCCO1
InChIInChI=1S/C16H22O3/c1-12(2)19-16-9-4-3-8-14(16)15(17)11-13-7-5-6-10-18-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3
InChIKeyHRBCDHGMWUABSB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.62
Rot. Bonds5

About 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone

2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone (PubChem CID 113391238) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone
PubChem CID113391238
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1C(=O)CC1CCCCO1
InChIInChI=1S/C16H22O3/c1-12(2)19-16-9-4-3-8-14(16)15(17)11-13-7-5-6-10-18-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3
InChIKeyHRBCDHGMWUABSB-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110422651
2-[2-(oxan-2-yl)acetyl]benzohydrazide
CID 175764371
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
3-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109016102
N-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828739
1-(3-bromo-2,4-dimethoxyphenyl)-2-(oxan-2-yl)ethanone
CID 103523120
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
CID 2430853
3-(oxan-2-ylmethylsulfonylamino)-4-propan-2-yloxybenzoic acid
CID 136513692
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone (CID 113391238) is 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone is CC(C)Oc1ccccc1C(=O)CC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone?
The InChIKey is HRBCDHGMWUABSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12(2)19-16-9-4-3-8-14(16)15(17)11-13-7-5-6-10-18-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3.
What are the key properties of 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone?
2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-1-(2-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 113391238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).