(2-acetyloxybenzene-4-id-1-yl) acetate;yttrium

C10H9O4Y- — CID 59925093

IUPAC(2-acetyloxybenzene-4-id-1-yl) acetate;yttrium
SMILESCC(=O)Oc1c[c-]ccc1OC(C)=O.[Y]
InChIInChI=1S/C10H9O4.Y/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12;/h3,5-6H,1-2H3;/q-1;
InChIKeyIXLJFBIFZSITBV-UHFFFAOYSA-N
MW282.08 g/mol
LogP1.33
Rot. Bonds2

About (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium

(2-acetyloxybenzene-4-id-1-yl) acetate;yttrium (PubChem CID 59925093) has the molecular formula C10H9O4Y- and a molecular weight of 282.08 g/mol. Its IUPAC name is (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium.

Molecular Properties

Compound Name(2-acetyloxybenzene-4-id-1-yl) acetate;yttrium
PubChem CID59925093
Molecular FormulaC10H9O4Y-
Molecular Weight282.08 g/mol
Exact Mass281.96
IUPAC Name(2-acetyloxybenzene-4-id-1-yl) acetate;yttrium
SMILESCC(=O)Oc1c[c-]ccc1OC(C)=O.[Y]
InChIInChI=1S/C10H9O4.Y/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12;/h3,5-6H,1-2H3;/q-1;
InChIKeyIXLJFBIFZSITBV-UHFFFAOYSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
CID 58533651
[2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate
CID 164830284
carbanide;ethane;1-(2-methylbenzene-4-id-1-yl)ethanone;yttrium
CID 158450240
(8-acetyloxyquinoxalin-5-yl) acetate
CID 119081746
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
ethane;methoxybenzene;phenyl acetate;tungsten(2+)
CID 158968313
ethane;methoxybenzene;phenyl acetate;tungsten(2+)
CID 142107588
1-(2-aminobenzene-5-id-1-yl)ethanone;yttrium(3+)
CID 54711351
[4-(4-acetyloxy-3-aminophenyl)-2-aminophenyl] acetate
CID 172815309
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
(4-acetyloxyfuran-3-yl) acetate
CID 159892676
[4-(3,4-dimethoxyphenyl)sulfanyl-2-methoxyphenyl] acetate
CID 122520347

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium?
The IUPAC name of (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium (CID 59925093) is (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium.
What is the SMILES notation for (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium?
The canonical SMILES for (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium is CC(=O)Oc1c[c-]ccc1OC(C)=O.[Y].
What is the InChIKey of (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium?
The InChIKey is IXLJFBIFZSITBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O4.Y/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12;/h3,5-6H,1-2H3;/q-1;.
What are the key properties of (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium?
(2-acetyloxybenzene-4-id-1-yl) acetate;yttrium has a molecular weight of 282.08 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxybenzene-4-id-1-yl) acetate;yttrium is sourced from PubChem (CID 59925093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).