2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone

C15H19FO3 — CID 80685144

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone
SMILESCOc1ccc(CC(=O)C2(C)CCCCO2)cc1F
InChIInChI=1S/C15H19FO3/c1-15(7-3-4-8-19-15)14(17)10-11-5-6-13(18-2)12(16)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeySWORTTNASJKOOD-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone

2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone (PubChem CID 80685144) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone
PubChem CID80685144
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone
SMILESCOc1ccc(CC(=O)C2(C)CCCCO2)cc1F
InChIInChI=1S/C15H19FO3/c1-15(7-3-4-8-19-15)14(17)10-11-5-6-13(18-2)12(16)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeySWORTTNASJKOOD-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931
1-(1-ethoxycyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116748238
2-(3-fluoro-4-methoxyphenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706781
2-(3-fluoro-4-methoxyphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116569863
2-(3-fluoro-4-methoxyphenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanone
CID 114966156
1-[1-(aminomethyl)cyclopropyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 116601105
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685372
1-(2,2-dimethylcyclohexyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 107186738
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 163306066
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone (CID 80685144) is 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone is COc1ccc(CC(=O)C2(C)CCCCO2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone?
The InChIKey is SWORTTNASJKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-15(7-3-4-8-19-15)14(17)10-11-5-6-13(18-2)12(16)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone has a molecular weight of 266.31 g/mol, XLogP of 2.91, 4 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-(2-methyloxan-2-yl)ethanone is sourced from PubChem (CID 80685144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).