1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone

C11H13NO3 — CID 173058380

IUPAC1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCN)c(C(C)=O)c1
InChIInChI=1S/C11H13NO3/c1-7(13)9-3-4-11(15-6-12)10(5-9)8(2)14/h3-5H,6,12H2,1-2H3
InChIKeyMTHGKEZVSUNAOA-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.39
Rot. Bonds4

About 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone

1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone (PubChem CID 173058380) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone
PubChem CID173058380
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCN)c(C(C)=O)c1
InChIInChI=1S/C11H13NO3/c1-7(13)9-3-4-11(15-6-12)10(5-9)8(2)14/h3-5H,6,12H2,1-2H3
InChIKeyMTHGKEZVSUNAOA-UHFFFAOYSA-N
XLogP1.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-4-(2-methylpropoxy)benzoic acid
CID 97033854
methyl 3-acetyl-4-propoxybenzoate
CID 18404776
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
bis[(2,4-diacetylphenyl)methyl] oxalate
CID 54100484
1-[2-amino-3-(aminomethoxy)phenyl]ethanone
CID 67709541
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
methyl 5-acetyl-2-(2,2,2-trifluoroethoxy)benzoate
CID 155887496
methyl 5-acetyl-2-pentoxybenzoate
CID 121004853
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
1-(2,5-diethoxyphenyl)ethanone
CID 4075332

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone (CID 173058380) is 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone is CC(=O)c1ccc(OCN)c(C(C)=O)c1.
What is the InChIKey of 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone?
The InChIKey is MTHGKEZVSUNAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7(13)9-3-4-11(15-6-12)10(5-9)8(2)14/h3-5H,6,12H2,1-2H3.
What are the key properties of 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone?
1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone has a molecular weight of 207.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone is sourced from PubChem (CID 173058380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).