2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone

C14H17FO3 — CID 116706781

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOc1ccc(CC(=O)C2(OC)CCC2)cc1F
InChIInChI=1S/C14H17FO3/c1-17-12-5-4-10(8-11(12)15)9-13(16)14(18-2)6-3-7-14/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyMIVFVEDWFBHQSD-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone

2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone (PubChem CID 116706781) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
PubChem CID116706781
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOc1ccc(CC(=O)C2(OC)CCC2)cc1F
InChIInChI=1S/C14H17FO3/c1-17-12-5-4-10(8-11(12)15)9-13(16)14(18-2)6-3-7-14/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyMIVFVEDWFBHQSD-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
1-[1-(aminomethyl)cyclopropyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116601105
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone
CID 114966156
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685144
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408
2-(3-fluoro-4-methoxyphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116569863
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750562
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(2,2-dimethylcyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107186738

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone (CID 116706781) is 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone is COc1ccc(CC(=O)C2(OC)CCC2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone?
The InChIKey is MIVFVEDWFBHQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-17-12-5-4-10(8-11(12)15)9-13(16)14(18-2)6-3-7-14/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone has a molecular weight of 252.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 116706781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).