[4-(2-aminooxyethoxy)phenyl]-phenylmethanone

C15H15NO3 — CID 122389379

IUPAC[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
SMILESNOCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c16-19-11-10-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeyINONVBTVSGBAAN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds6

About [4-(2-aminooxyethoxy)phenyl]-phenylmethanone

[4-(2-aminooxyethoxy)phenyl]-phenylmethanone (PubChem CID 122389379) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is [4-(2-aminooxyethoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
PubChem CID122389379
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
SMILESNOCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H15NO3/c16-19-11-10-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9H,10-11,16H2
InChIKeyINONVBTVSGBAAN-UHFFFAOYSA-N
XLogP2.19
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
CID 157442056
CID 157442056
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
3-(4-benzoylphenoxy)propane-1-sulfonate
CID 22616688
[4-[3-[3-[3-(4-benzoylphenoxy)propyl]-1-bicyclo[1.1.1]pentanyl]propoxy]phenyl]-phenylmethanone
CID 5250881
[4-[(4S)-4-amino-5-sulfanylpentoxy]phenyl]-phenylmethanone
CID 87877068
11-(4-benzoylphenoxy)undecyl 2-bromo-2-methylpropanoate
CID 153483732
2-(4-benzoylphenoxy)acetaldehyde
CID 62028951
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminooxyethoxy)phenyl]-phenylmethanone?
The IUPAC name of [4-(2-aminooxyethoxy)phenyl]-phenylmethanone (CID 122389379) is [4-(2-aminooxyethoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(2-aminooxyethoxy)phenyl]-phenylmethanone?
The canonical SMILES for [4-(2-aminooxyethoxy)phenyl]-phenylmethanone is NOCCOc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(2-aminooxyethoxy)phenyl]-phenylmethanone?
The InChIKey is INONVBTVSGBAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c16-19-11-10-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-9H,10-11,16H2.
What are the key properties of [4-(2-aminooxyethoxy)phenyl]-phenylmethanone?
[4-(2-aminooxyethoxy)phenyl]-phenylmethanone has a molecular weight of 257.29 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 [4-(2-aminooxyethoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 122389379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).