2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone

C16H22O3 — CID 103556021

IUPAC2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
SMILESCOc1c(C)cc(C(=O)CC2(OC)CCC2)cc1C
InChIInChI=1S/C16H22O3/c1-11-8-13(9-12(2)15(11)18-3)14(17)10-16(19-4)6-5-7-16/h8-9H,5-7,10H2,1-4H3
InChIKeyPMELKLSSRXDIBP-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.45
Rot. Bonds5

About 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone

2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone (PubChem CID 103556021) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
PubChem CID103556021
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
SMILESCOc1c(C)cc(C(=O)CC2(OC)CCC2)cc1C
InChIInChI=1S/C16H22O3/c1-11-8-13(9-12(2)15(11)18-3)14(17)10-16(19-4)6-5-7-16/h8-9H,5-7,10H2,1-4H3
InChIKeyPMELKLSSRXDIBP-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103558404
2-(1-methoxycyclobutyl)-1-(5-methylthiophen-3-yl)ethanone
CID 103558846
2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 103558920
1-(4-fluorophenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555872
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 83057486
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
CID 103558841
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555901
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103556008
1-(2-bromo-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555951
1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555876
2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone
CID 103558992

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone (CID 103556021) is 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone is COc1c(C)cc(C(=O)CC2(OC)CCC2)cc1C.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone?
The InChIKey is PMELKLSSRXDIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-8-13(9-12(2)15(11)18-3)14(17)10-16(19-4)6-5-7-16/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone?
2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 103556021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).