1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone

C14H18O3 — CID 58975274

IUPAC1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC2CCCCO2)c(C)c1
InChIInChI=1S/C14H18O3/c1-10-9-12(11(2)15)6-7-13(10)17-14-5-3-4-8-16-14/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyHNZAFUBKQNQFEZ-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.10
Rot. Bonds3

About 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone

1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone (PubChem CID 58975274) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
PubChem CID58975274
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OC2CCCCO2)c(C)c1
InChIInChI=1S/C14H18O3/c1-10-9-12(11(2)15)6-7-13(10)17-14-5-3-4-8-16-14/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyHNZAFUBKQNQFEZ-UHFFFAOYSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
2-(4-ethynyl-2-methylphenoxy)oxane
CID 22991499
2-(2,5-dimethylphenoxy)oxane
CID 15305690
1-(3,4-dimethylphenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone
CID 53376358
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
4-(oxan-2-yloxy)benzoic acid
CID 11183645
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
methyl 3-(3,3-dimethylbut-1-en-2-yl)-4-(oxan-2-yloxy)benzoate
CID 57467622
2-(3,4-dimethylphenoxy)oxane
CID 10987441
1-[5-(oxan-2-yloxy)-2-prop-2-enoxyphenyl]ethanone
CID 12566051
5-[2-(tert-butylamino)acetyl]-2-(oxan-2-yloxy)benzaldehyde
CID 118480196
1-(4-chlorophenyl)-2-[2-methyl-4-(oxan-2-yloxy)naphthalen-1-yl]oxyethanone
CID 53376359

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone?
The IUPAC name of 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone (CID 58975274) is 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone?
The canonical SMILES for 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone is CC(=O)c1ccc(OC2CCCCO2)c(C)c1.
What is the InChIKey of 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone?
The InChIKey is HNZAFUBKQNQFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-9-12(11(2)15)6-7-13(10)17-14-5-3-4-8-16-14/h6-7,9,14H,3-5,8H2,1-2H3.
What are the key properties of 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone?
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone has a molecular weight of 234.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone is sourced from PubChem (CID 58975274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).