1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one

C11H13FO2 — CID 83388472

IUPAC1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(F)c(C(=O)C(C)C)c1
InChIInChI=1S/C11H13FO2/c1-7(2)11(13)9-6-8(14-3)4-5-10(9)12/h4-7H,1-3H3
InChIKeyPFSFPLDBWKVUEB-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.67
Rot. Bonds3

About 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one

1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 83388472) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
PubChem CID83388472
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(F)c(C(=O)C(C)C)c1
InChIInChI=1S/C11H13FO2/c1-7(2)11(13)9-6-8(14-3)4-5-10(9)12/h4-7H,1-3H3
InChIKeyPFSFPLDBWKVUEB-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 58180993
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
1-(2-fluoro-5-methoxyphenyl)propan-1-one
CID 71322080
1-(2-fluoro-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988101
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
2-bromo-1-[2-(bromomethyl)-5-methoxyphenyl]propan-1-one
CID 131405808
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620507
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methoxybenzamide
CID 151161716

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one (CID 83388472) is 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one is COc1ccc(F)c(C(=O)C(C)C)c1.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is PFSFPLDBWKVUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7(2)11(13)9-6-8(14-3)4-5-10(9)12/h4-7H,1-3H3.
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one?
1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 196.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 83388472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).