(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium

C15H14O3Y — CID 59524611

IUPAC(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
SMILESC=C(C)C(=O)OCc1ccc2cc(O)ccc2c1.[Y]
InChIInChI=1S/C15H14O3.Y/c1-10(2)15(17)18-9-11-3-4-13-8-14(16)6-5-12(13)7-11;/h3-8,16H,1,9H2,2H3;
InChIKeyXKBYESKGBMPKIX-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.16
Rot. Bonds3

About (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium

(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium (PubChem CID 59524611) has the molecular formula C15H14O3Y and a molecular weight of 331.18 g/mol. Its IUPAC name is (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium.

Molecular Properties

Compound Name(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
PubChem CID59524611
Molecular FormulaC15H14O3Y
Molecular Weight331.18 g/mol
Exact Mass331.00
IUPAC Name(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
SMILESC=C(C)C(=O)OCc1ccc2cc(O)ccc2c1.[Y]
InChIInChI=1S/C15H14O3.Y/c1-10(2)15(17)18-9-11-3-4-13-8-14(16)6-5-12(13)7-11;/h3-8,16H,1,9H2,2H3;
InChIKeyXKBYESKGBMPKIX-UHFFFAOYSA-N
XLogP3.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium
CID 59524626
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
CID 177260916
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193
[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-(2-methylprop-2-enoyloxymethyl)naphthalene-2-carboxylate
CID 58471446
(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
CID 126550127
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832690
(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate
CID 142524657

Frequently Asked Questions

What is the IUPAC name of (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium?
The IUPAC name of (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium (CID 59524611) is (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium.
What is the SMILES notation for (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium?
The canonical SMILES for (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium is C=C(C)C(=O)OCc1ccc2cc(O)ccc2c1.[Y].
What is the InChIKey of (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium?
The InChIKey is XKBYESKGBMPKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.Y/c1-10(2)15(17)18-9-11-3-4-13-8-14(16)6-5-12(13)7-11;/h3-8,16H,1,9H2,2H3;.
What are the key properties of (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium?
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium has a molecular weight of 331.18 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium is sourced from PubChem (CID 59524611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).