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

C10H11FO3 — CID 117287584

IUPAC1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one
SMILESCOc1cc(O)c(F)c(CC(C)=O)c1
InChIInChI=1S/C10H11FO3/c1-6(12)3-7-4-8(14-2)5-9(13)10(7)11/h4-5,13H,3H2,1-2H3
InChIKeyIEQZKWABAILEAY-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.67
Rot. Bonds3

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

1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one (PubChem CID 117287584) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one
PubChem CID117287584
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one
SMILESCOc1cc(O)c(F)c(CC(C)=O)c1
InChIInChI=1S/C10H11FO3/c1-6(12)3-7-4-8(14-2)5-9(13)10(7)11/h4-5,13H,3H2,1-2H3
InChIKeyIEQZKWABAILEAY-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

1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
CID 84665339
1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 83886474
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
CID 83903980
2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetic acid
CID 18444769
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-one
CID 117325240
2-[3-(bromomethyl)-2-fluoro-5-methoxyphenyl]acetic acid
CID 130139281
ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117361967
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-one
CID 84680204
1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 117297433
1-(2,3,6-trifluoro-5-hydroxyphenyl)propan-2-one
CID 117292301
3-ethyl-2-fluoro-5-methoxybenzoic acid
CID 123425084

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one (CID 117287584) is 1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one is COc1cc(O)c(F)c(CC(C)=O)c1.
What is the InChIKey of 1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one?
The InChIKey is IEQZKWABAILEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(12)3-7-4-8(14-2)5-9(13)10(7)11/h4-5,13H,3H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one?
1-(2-fluoro-3-hydroxy-5-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-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one is sourced from PubChem (CID 117287584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).