1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one

C11H12FNO4 — CID 167534916

IUPAC1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one
SMILESCOCOc1ccc(F)cc1C(=NO)C(C)=O
InChIInChI=1S/C11H12FNO4/c1-7(14)11(13-15)9-5-8(12)3-4-10(9)17-6-16-2/h3-5,15H,6H2,1-2H3
InChIKeyDZSBCMQSCHUAEQ-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.58
Rot. Bonds5

About 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one

1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one (PubChem CID 167534916) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one.

Molecular Properties

Compound Name1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one
PubChem CID167534916
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one
SMILESCOCOc1ccc(F)cc1C(=NO)C(C)=O
InChIInChI=1S/C11H12FNO4/c1-7(14)11(13-15)9-5-8(12)3-4-10(9)17-6-16-2/h3-5,15H,6H2,1-2H3
InChIKeyDZSBCMQSCHUAEQ-UHFFFAOYSA-N
XLogP1.58
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
[5-fluoro-2-(methoxymethoxy)phenyl]-(3-methylphenyl)methanone
CID 146189061
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
4-fluoro-2-(methoxymethoxy)-1-propan-2-ylbenzene
CID 177170739
(1E,4E)-1,5-bis[3-fluoro-4-(methoxymethoxy)phenyl]penta-1,4-dien-3-one
CID 24828740
(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
CID 142023761
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone
CID 171367812
1-[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 78925927
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate
CID 72579109

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one?
The IUPAC name of 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one (CID 167534916) is 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one.
What is the SMILES notation for 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one?
The canonical SMILES for 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one is COCOc1ccc(F)cc1C(=NO)C(C)=O.
What is the InChIKey of 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one?
The InChIKey is DZSBCMQSCHUAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-7(14)11(13-15)9-5-8(12)3-4-10(9)17-6-16-2/h3-5,15H,6H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one?
1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one has a molecular weight of 241.22 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(methoxymethoxy)phenyl]-1-hydroxyiminopropan-2-one is sourced from PubChem (CID 167534916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).