1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone

C15H20O3 — CID 106790346

IUPAC1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CC1CCOCC1
InChIInChI=1S/C15H20O3/c1-11-3-4-13(15(9-11)17-2)14(16)10-12-5-7-18-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyDSYOPQRCVUOZDS-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.00
Rot. Bonds4

About 1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone

1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone (PubChem CID 106790346) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
PubChem CID106790346
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)CC1CCOCC1
InChIInChI=1S/C15H20O3/c1-11-3-4-13(15(9-11)17-2)14(16)10-12-5-7-18-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyDSYOPQRCVUOZDS-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanone
CID 106790174
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
2-methoxy-N,4-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 170279439
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923
1-(2-methoxy-4-methylphenyl)-5,5-dimethylhexan-1-one
CID 114209847
2-(3,3-dimethylmorpholin-4-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 61433090
1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethanone
CID 114969252
1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
CID 58514655
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
1-(2-amino-4-chlorophenyl)-2-(oxan-4-yl)ethanone
CID 64915585

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone (CID 106790346) is 1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone is COc1cc(C)ccc1C(=O)CC1CCOCC1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone?
The InChIKey is DSYOPQRCVUOZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-3-4-13(15(9-11)17-2)14(16)10-12-5-7-18-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone?
1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone has a molecular weight of 248.32 g/mol, XLogP of 3.00, 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-methylphenyl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 106790346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).