1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one

C10H11FO3 — CID 117287591

IUPAC1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one
SMILESCOc1c(O)cc(CC(C)=O)cc1F
InChIInChI=1S/C10H11FO3/c1-6(12)3-7-4-8(11)10(14-2)9(13)5-7/h4-5,13H,3H2,1-2H3
InChIKeyLQXAWXNYCBNMBJ-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.67
Rot. Bonds3

About 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one

1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one (PubChem CID 117287591) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one
PubChem CID117287591
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one
SMILESCOc1c(O)cc(CC(C)=O)cc1F
InChIInChI=1S/C10H11FO3/c1-6(12)3-7-4-8(11)10(14-2)9(13)5-7/h4-5,13H,3H2,1-2H3
InChIKeyLQXAWXNYCBNMBJ-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-fluoro-2-methoxyphenol
CID 84653744
1-(3,4,5-trihydroxyphenyl)propan-2-one
CID 55250541
3-fluoro-5-(isocyanatomethyl)-2-methoxyphenol
CID 117286579
1-(3,5-difluoro-2-methoxyphenyl)propan-2-one
CID 83880632
1-(3,5-difluoro-4-methylsulfanylphenyl)propan-2-one
CID 117308087
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
2-(3-fluoro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
CID 117304900
3-fluoro-2-methoxy-5-(piperazin-1-ylmethyl)phenol
CID 117353440
1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
CID 84714597
ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
CID 171008666
1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
CID 54232083
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one (CID 117287591) is 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one is COc1c(O)cc(CC(C)=O)cc1F.
What is the InChIKey of 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one?
The InChIKey is LQXAWXNYCBNMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(12)3-7-4-8(11)10(14-2)9(13)5-7/h4-5,13H,3H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one?
1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one has a molecular weight of 198.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 117287591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).