[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium

C16H14O5Y — CID 59524626

IUPAC[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium
SMILESC=C(C)C(=O)OCC(=O)Oc1ccc2cc(O)ccc2c1.[Y]
InChIInChI=1S/C16H14O5.Y/c1-10(2)16(19)20-9-15(18)21-14-6-4-11-7-13(17)5-3-12(11)8-14;/h3-8,17H,1,9H2,2H3;
InChIKeyHHEUYZZPYPWNKX-UHFFFAOYSA-N
MW375.19 g/mol
LogP2.57
Rot. Bonds4

About [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium

[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium (PubChem CID 59524626) has the molecular formula C16H14O5Y and a molecular weight of 375.19 g/mol. Its IUPAC name is [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium.

Molecular Properties

Compound Name[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium
PubChem CID59524626
Molecular FormulaC16H14O5Y
Molecular Weight375.19 g/mol
Exact Mass374.99
IUPAC Name[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium
SMILESC=C(C)C(=O)OCC(=O)Oc1ccc2cc(O)ccc2c1.[Y]
InChIInChI=1S/C16H14O5.Y/c1-10(2)16(19)20-9-15(18)21-14-6-4-11-7-13(17)5-3-12(11)8-14;/h3-8,17H,1,9H2,2H3;
InChIKeyHHEUYZZPYPWNKX-UHFFFAOYSA-N
XLogP2.57
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
6-prop-1-en-2-yloxynaphthalen-2-ol
CID 58445580
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate
CID 177106308
[2-[3,5-bis(trifluoromethyl)phenoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 88579230
N,N-diethylethanamine;6-(6-hydroxynaphthalen-2-yl)oxynaphthalen-2-ol;methane;2-methylprop-2-enoyl chloride;[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 160791360
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
CID 147596452
CID 147596452
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796

Frequently Asked Questions

What is the IUPAC name of [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium?
The IUPAC name of [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium (CID 59524626) is [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium.
What is the SMILES notation for [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium?
The canonical SMILES for [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium is C=C(C)C(=O)OCC(=O)Oc1ccc2cc(O)ccc2c1.[Y].
What is the InChIKey of [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium?
The InChIKey is HHEUYZZPYPWNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5.Y/c1-10(2)16(19)20-9-15(18)21-14-6-4-11-7-13(17)5-3-12(11)8-14;/h3-8,17H,1,9H2,2H3;.
What are the key properties of [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium?
[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium has a molecular weight of 375.19 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium is sourced from PubChem (CID 59524626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).