1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one

C14H17FO3 — CID 65154683

IUPAC1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCC2CCCO2)c(F)c1
InChIInChI=1S/C14H17FO3/c1-17-11-4-6-12(13(15)9-11)14(16)7-5-10-3-2-8-18-10/h4,6,9-10H,2-3,5,7-8H2,1H3
InChIKeyRPZIRVBEBMFXNV-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.98
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one

1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one (PubChem CID 65154683) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
PubChem CID65154683
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCC2CCCO2)c(F)c1
InChIInChI=1S/C14H17FO3/c1-17-11-4-6-12(13(15)9-11)14(16)7-5-10-3-2-8-18-10/h4,6,9-10H,2-3,5,7-8H2,1H3
InChIKeyRPZIRVBEBMFXNV-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-(oxan-2-yl)propan-1-one
CID 114965567
N-(2-fluoro-5-methoxyphenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 97053400
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-fluoro-4-methoxybenzoate
CID 8509177
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 115785484
1-(2-chloro-4-fluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 81045032
1-(3-methoxyphenyl)-4-(oxolan-2-yl)butan-1-one
CID 65167309
3-(oxolan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-one
CID 114975824
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
5-methoxy-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65159007
1-(5-bromo-2-methoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63951721
1-(4-bromo-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976963

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one (CID 65154683) is 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one is COc1ccc(C(=O)CCC2CCCO2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one?
The InChIKey is RPZIRVBEBMFXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-17-11-4-6-12(13(15)9-11)14(16)7-5-10-3-2-8-18-10/h4,6,9-10H,2-3,5,7-8H2,1H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one?
1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one has a molecular weight of 252.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 65154683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).