(4-acetyloxyphenyl) acetate;ethanamine

C14H24N2O4 — CID 160806185

IUPAC(4-acetyloxyphenyl) acetate;ethanamine
SMILESCC(=O)Oc1ccc(OC(C)=O)cc1.CCN.CCN
InChIInChI=1S/C10H10O4.2C2H7N/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12;2*1-2-3/h3-6H,1-2H3;2*2-3H2,1H3
InChIKeySDSIPOWTMGLFGP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.47
Rot. Bonds2

About (4-acetyloxyphenyl) acetate;ethanamine

(4-acetyloxyphenyl) acetate;ethanamine (PubChem CID 160806185) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-acetyloxyphenyl) acetate;ethanamine.

Molecular Properties

Compound Name(4-acetyloxyphenyl) acetate;ethanamine
PubChem CID160806185
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(4-acetyloxyphenyl) acetate;ethanamine
SMILESCC(=O)Oc1ccc(OC(C)=O)cc1.CCN.CCN
InChIInChI=1S/C10H10O4.2C2H7N/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12;2*1-2-3/h3-6H,1-2H3;2*2-3H2,1H3
InChIKeySDSIPOWTMGLFGP-UHFFFAOYSA-N
XLogP1.47
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(ethylamino)phenyl] acetate
CID 15120452
diethyl 2-(4-acetyloxyphenyl)propanedioate
CID 134937799
(4-chlorophenyl) acetate
CID 13410
(4-methylphenyl) acetate;zinc
CID 159589232
ethyl 4-(4-acetyloxyphenyl)benzoate
CID 122206053
(4-acetyloxyphenyl) 2,2-dimethylbutanoate
CID 89117927
ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579
[4-(diethylcarbamoyl)phenyl] acetate
CID 683590
[4-[(E)-but-2-enyl]phenyl] acetate
CID 56613774
(4-but-2-enylphenyl) acetate
CID 57109084
[4-(propylamino)phenyl] acetate
CID 82532444
azane;ethanol;mercury;phenyl acetate
CID 70517650

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxyphenyl) acetate;ethanamine?
The IUPAC name of (4-acetyloxyphenyl) acetate;ethanamine (CID 160806185) is (4-acetyloxyphenyl) acetate;ethanamine.
What is the SMILES notation for (4-acetyloxyphenyl) acetate;ethanamine?
The canonical SMILES for (4-acetyloxyphenyl) acetate;ethanamine is CC(=O)Oc1ccc(OC(C)=O)cc1.CCN.CCN.
What is the InChIKey of (4-acetyloxyphenyl) acetate;ethanamine?
The InChIKey is SDSIPOWTMGLFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.2C2H7N/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12;2*1-2-3/h3-6H,1-2H3;2*2-3H2,1H3.
What are the key properties of (4-acetyloxyphenyl) acetate;ethanamine?
(4-acetyloxyphenyl) acetate;ethanamine has a molecular weight of 284.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxyphenyl) acetate;ethanamine is sourced from PubChem (CID 160806185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).