1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one

C13H17FO4 — CID 144811836

IUPAC1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one
SMILESCOc1cc(C(=O)CCO)cc(F)c1OC(C)C
InChIInChI=1S/C13H17FO4/c1-8(2)18-13-10(14)6-9(7-12(13)17-3)11(16)4-5-15/h6-8,15H,4-5H2,1-3H3
InChIKeyWHFXMNAXDZMNJU-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.19
Rot. Bonds6

About 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one

1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one (PubChem CID 144811836) has the molecular formula C13H17FO4 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one
PubChem CID144811836
Molecular FormulaC13H17FO4
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one
SMILESCOc1cc(C(=O)CCO)cc(F)c1OC(C)C
InChIInChI=1S/C13H17FO4/c1-8(2)18-13-10(14)6-9(7-12(13)17-3)11(16)4-5-15/h6-8,15H,4-5H2,1-3H3
InChIKeyWHFXMNAXDZMNJU-UHFFFAOYSA-N
XLogP2.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-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-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
1-[4-(1-hydroxyethoxy)-3-iodo-5-methoxyphenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione
CID 18467388
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 7711704
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
CID 95441414
3-methyl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 93191215
3-chloro-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 67816267
1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 141003424
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone
CID 146011423
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
1-(3,4,5-trimethoxyphenyl)octan-1-one
CID 114966527
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
CID 45371684

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one?
The IUPAC name of 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one (CID 144811836) is 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one is COc1cc(C(=O)CCO)cc(F)c1OC(C)C.
What is the InChIKey of 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one?
The InChIKey is WHFXMNAXDZMNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO4/c1-8(2)18-13-10(14)6-9(7-12(13)17-3)11(16)4-5-15/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one?
1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one has a molecular weight of 256.27 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-3-hydroxypropan-1-one is sourced from PubChem (CID 144811836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).