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

C10H12FNO3 — CID 117303668

IUPAC3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCOc1cc(F)c(O)cc1C(=O)CCN
InChIInChI=1S/C10H12FNO3/c1-15-10-5-7(11)9(14)4-6(10)8(13)2-3-12/h4-5,14H,2-3,12H2,1H3
InChIKeyIHIPAGKLKWNXNR-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.07
Rot. Bonds4

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

3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one (PubChem CID 117303668) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
PubChem CID117303668
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCOc1cc(F)c(O)cc1C(=O)CCN
InChIInChI=1S/C10H12FNO3/c1-15-10-5-7(11)9(14)4-6(10)8(13)2-3-12/h4-5,14H,2-3,12H2,1H3
InChIKeyIHIPAGKLKWNXNR-UHFFFAOYSA-N
XLogP1.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
3-amino-1-(5-fluoro-2,4-dimethoxyphenyl)propan-1-one
CID 117326578
3-amino-1-(4-fluoro-5-hydroxy-2-methylphenyl)propan-1-one
CID 84774234
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
3-amino-1-[5-(difluoromethyl)-2,4-dimethoxyphenyl]propan-1-one
CID 117401274
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
CID 117437436
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
3-amino-1-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-one
CID 117371031
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one (CID 117303668) is 3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one is COc1cc(F)c(O)cc1C(=O)CCN.
What is the InChIKey of 3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one?
The InChIKey is IHIPAGKLKWNXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-15-10-5-7(11)9(14)4-6(10)8(13)2-3-12/h4-5,14H,2-3,12H2,1H3.
What are the key properties of 3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one?
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one has a molecular weight of 213.21 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117303668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).