(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone

C16H22O3 — CID 114241890

IUPAC(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1CCOCC1C
InChIInChI=1S/C16H22O3/c1-10-7-11(2)15(14(8-10)18-4)16(17)13-5-6-19-9-12(13)3/h7-8,12-13H,5-6,9H2,1-4H3
InChIKeyOHKLGADQYMRMBZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.17
Rot. Bonds3

About (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone

(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone (PubChem CID 114241890) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone
PubChem CID114241890
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1CCOCC1C
InChIInChI=1S/C16H22O3/c1-10-7-11(2)15(14(8-10)18-4)16(17)13-5-6-19-9-12(13)3/h7-8,12-13H,5-6,9H2,1-4H3
InChIKeyOHKLGADQYMRMBZ-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
1-(2-methoxy-4,6-dimethylphenyl)-1-(oxolan-3-yl)ethanol
CID 106679767
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
CID 43159909
1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone
CID 106680079
(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681762
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 106681878
(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
CID 106880808
(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 110764973
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679968
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone?
The IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone (CID 114241890) is (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone.
What is the SMILES notation for (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone?
The canonical SMILES for (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone is COc1cc(C)cc(C)c1C(=O)C1CCOCC1C.
What is the InChIKey of (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone?
The InChIKey is OHKLGADQYMRMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-7-11(2)15(14(8-10)18-4)16(17)13-5-6-19-9-12(13)3/h7-8,12-13H,5-6,9H2,1-4H3.
What are the key properties of (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone?
(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone is sourced from PubChem (CID 114241890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).