1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one

C16H22O2 — CID 103558744

IUPAC1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one
SMILESCOC1(CC(=O)Cc2cc(C)cc(C)c2)CCC1
InChIInChI=1S/C16H22O2/c1-12-7-13(2)9-14(8-12)10-15(17)11-16(18-3)5-4-6-16/h7-9H,4-6,10-11H2,1-3H3
InChIKeyHHPKEBIHMCEKKX-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.37
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one

1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one (PubChem CID 103558744) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one
PubChem CID103558744
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one
SMILESCOC1(CC(=O)Cc2cc(C)cc(C)c2)CCC1
InChIInChI=1S/C16H22O2/c1-12-7-13(2)9-14(8-12)10-15(17)11-16(18-3)5-4-6-16/h7-9H,4-6,10-11H2,1-3H3
InChIKeyHHPKEBIHMCEKKX-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-1,7-diphenyl-3-heptanone
CID 5319430
Methyl 3-oxo-4-phenylbutanoate
CID 2760261
(5s)-5-Methoxy-1,7-diphenylhept-3-one
CID 26437440
4-Methoxy-1,6-diphenylhexan-2-one
CID 24881816
6-Methoxy-1,8-diphenyloctan-4-one
CID 24881817
Ethyl 4-(3-methylphenyl)-3-oxobutanoate
CID 20814231
4-Methoxy-1,5-diphenylpentan-2-one
CID 15270463
(5r)-5-Methoxy-1,7-diphenylhept-3-one
CID 26437441
5-[(3,5-Dimethylphenyl)methyl]-6-(ethoxymethyl)-4-isopropyl-cyclohex-4-ene-1,3-dione
CID 3008275
5-[(3,5-Dimethylphenyl)methyl]-6-(ethoxymethyl)-4-ethyl-cyclohex-4-ene-1,3-dione
CID 3008291
Methyl 2-methyl-3-oxo-4-phenylbutanoate
CID 12442578
1-(3-Fluorophenyl)-4-methoxybutan-2-one
CID 50989299

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one (CID 103558744) is 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one is COC1(CC(=O)Cc2cc(C)cc(C)c2)CCC1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one?
The InChIKey is HHPKEBIHMCEKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-7-13(2)9-14(8-12)10-15(17)11-16(18-3)5-4-6-16/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one?
1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(1-methoxycyclobutyl)propan-2-one is sourced from PubChem (CID 103558744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).