1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone

C16H22O3 — CID 106680079

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CC1CCCCO1
InChIInChI=1S/C16H22O3/c1-11-8-12(2)16(15(9-11)18-3)14(17)10-13-6-4-5-7-19-13/h8-9,13H,4-7,10H2,1-3H3
InChIKeyJAHZDBBBJDZGHC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.45
Rot. Bonds4

About 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone

1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone (PubChem CID 106680079) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone
PubChem CID106680079
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CC1CCCCO1
InChIInChI=1S/C16H22O3/c1-11-8-12(2)16(15(9-11)18-3)14(17)10-13-6-4-5-7-19-13/h8-9,13H,4-7,10H2,1-3H3
InChIKeyJAHZDBBBJDZGHC-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110419575
oxan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 62214214
1-(3-bromo-2,4-dimethoxyphenyl)-2-(oxan-2-yl)ethanone
CID 103523120
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
2-cyclohexyl-2-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106680136
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 116826336
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
2-(oxolan-2-ylmethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 106497039
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone (CID 106680079) is 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone is COc1cc(C)cc(C)c1C(=O)CC1CCCCO1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone?
The InChIKey is JAHZDBBBJDZGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-8-12(2)16(15(9-11)18-3)14(17)10-13-6-4-5-7-19-13/h8-9,13H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone?
1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 106680079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).