1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one

C16H22O2 — CID 117368520

IUPAC1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
SMILESCC(=O)Cc1cc(C)c(C)cc1OCC1CCC1
InChIInChI=1S/C16H22O2/c1-11-7-15(9-13(3)17)16(8-12(11)2)18-10-14-5-4-6-14/h7-8,14H,4-6,9-10H2,1-3H3
InChIKeyCJYAKTFYVVIDSV-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.61
Rot. Bonds5

About 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one

1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one (PubChem CID 117368520) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
PubChem CID117368520
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
SMILESCC(=O)Cc1cc(C)c(C)cc1OCC1CCC1
InChIInChI=1S/C16H22O2/c1-11-7-15(9-13(3)17)16(8-12(11)2)18-10-14-5-4-6-14/h7-8,14H,4-6,9-10H2,1-3H3
InChIKeyCJYAKTFYVVIDSV-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]acetonitrile
CID 84792905
4-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]butan-1-amine
CID 117408754
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117415272
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid
CID 117466033
1-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-one
CID 117498472
[4-(cyclobutylmethoxy)-3-methoxyphenyl] acetate
CID 68983653
2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
CID 84686875
1-(2,4-dimethoxy-5-methylphenyl)propan-2-one
CID 24721213
3-(cyclohexylmethoxy)-4-methylbenzohydrazide
CID 163359298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one?
The IUPAC name of 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one (CID 117368520) is 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one.
What is the SMILES notation for 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one?
The canonical SMILES for 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one is CC(=O)Cc1cc(C)c(C)cc1OCC1CCC1.
What is the InChIKey of 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one?
The InChIKey is CJYAKTFYVVIDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-7-15(9-13(3)17)16(8-12(11)2)18-10-14-5-4-6-14/h7-8,14H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one?
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one is sourced from PubChem (CID 117368520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).