(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone

C14H18O2 — CID 116706979

IUPAC(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)c2cc(C)cc(C)c2)CCC1
InChIInChI=1S/C14H18O2/c1-10-7-11(2)9-12(8-10)13(15)14(16-3)5-4-6-14/h7-9H,4-6H2,1-3H3
InChIKeyLWMBKNPIMVKHDY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.06
Rot. Bonds3

About (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone

(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone (PubChem CID 116706979) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
PubChem CID116706979
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)c2cc(C)cc(C)c2)CCC1
InChIInChI=1S/C14H18O2/c1-10-7-11(2)9-12(8-10)13(15)14(16-3)5-4-6-14/h7-9H,4-6H2,1-3H3
InChIKeyLWMBKNPIMVKHDY-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(1-methoxycyclobutyl)-(5-methylthiophen-3-yl)methanone
CID 116707055
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(4-methoxyoxan-4-yl)-(3-methylphenyl)methanone
CID 116748760
(1-methoxycyclobutyl)-(6-methyl-3-pyridinyl)methanone
CID 116707015
(3-chloro-4-methylphenyl)-(1-methoxycyclopentyl)methanone
CID 107559939
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
(1-methoxycyclobutyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114726107
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(1-methoxy-4-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749281
(3-ethylphenyl)-(1-methoxycyclopentyl)methanone
CID 104610223

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone?
The IUPAC name of (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone (CID 116706979) is (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone?
The canonical SMILES for (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone is COC1(C(=O)c2cc(C)cc(C)c2)CCC1.
What is the InChIKey of (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone?
The InChIKey is LWMBKNPIMVKHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-7-11(2)9-12(8-10)13(15)14(16-3)5-4-6-14/h7-9H,4-6H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone?
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone is sourced from PubChem (CID 116706979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).