1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one

C11H13FO2 — CID 79704799

IUPAC1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C11H13FO2/c1-8-5-9(7-10(12)6-8)11(13)3-4-14-2/h5-7H,3-4H2,1-2H3
InChIKeyMDJDPCWZMRMCSN-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.35
Rot. Bonds4

About 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one

1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one (PubChem CID 79704799) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one
PubChem CID79704799
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one
SMILESCOCCC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C11H13FO2/c1-8-5-9(7-10(12)6-8)11(13)3-4-14-2/h5-7H,3-4H2,1-2H3
InChIKeyMDJDPCWZMRMCSN-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-4-methoxybutan-1-one
CID 62619901
3-(2,2-difluoroethoxy)-1-(3-fluoro-5-methylphenyl)propan-1-one
CID 103147239
1-(3-fluoro-5-methylphenyl)-4-methoxy-4-methylpentan-1-one
CID 103024524
4-bromo-1-(3-fluoro-5-methylphenyl)butan-1-one
CID 146006918
1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one
CID 116561086
2-chloro-1-(3-fluoro-5-methylphenyl)ethanone
CID 91636154
1-(3-fluoro-5-methylphenyl)-4-(methylamino)butan-1-one
CID 116555569
1-(3,5-difluorophenyl)-3-propan-2-yloxypropan-1-one
CID 115003065
3-(tert-butylamino)-1-(3-fluoro-5-methylphenyl)propan-1-one
CID 116557876
methyl 3-[(3-fluoro-5-methylbenzoyl)-methylamino]propanoate
CID 113245544
N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
CID 106243543
3-methoxy-1-phenylpropan-1-one
CID 10942788

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one (CID 79704799) is 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one is COCCC(=O)c1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one?
The InChIKey is MDJDPCWZMRMCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8-5-9(7-10(12)6-8)11(13)3-4-14-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one?
1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one has a molecular weight of 196.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 79704799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).