(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone

C15H20O2 — CID 116706943

IUPAC(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
SMILESCOC1(C(=O)c2cc(C)c(C)cc2C)CCC1
InChIInChI=1S/C15H20O2/c1-10-8-12(3)13(9-11(10)2)14(16)15(17-4)6-5-7-15/h8-9H,5-7H2,1-4H3
InChIKeyPAFJVEGNMCRHSD-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.36
Rot. Bonds3

About (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone

(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 116706943) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
PubChem CID116706943
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
SMILESCOC1(C(=O)c2cc(C)c(C)cc2C)CCC1
InChIInChI=1S/C15H20O2/c1-10-8-12(3)13(9-11(10)2)14(16)15(17-4)6-5-7-15/h8-9H,5-7H2,1-4H3
InChIKeyPAFJVEGNMCRHSD-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxycyclopentyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 104610261
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone
CID 116706976
(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
CID 116558695
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(2,5-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanone
CID 116750353
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
CID 116707050
(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
CID 116707055
(1-methoxycyclobutyl)-(6-methyl-3-pyridinyl)methanone
CID 116707015
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone (CID 116706943) is (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone is COC1(C(=O)c2cc(C)c(C)cc2C)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is PAFJVEGNMCRHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-8-12(3)13(9-11(10)2)14(16)15(17-4)6-5-7-15/h8-9H,5-7H2,1-4H3.
What are the key properties of (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone?
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 116706943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).