(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium

C14H12O3Y — CID 59524574

IUPAC(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
SMILESC=C(C)C(=O)Oc1cccc2ccc(O)cc12.[Y]
InChIInChI=1S/C14H12O3.Y/c1-9(2)14(16)17-13-5-3-4-10-6-7-11(15)8-12(10)13;/h3-8,15H,1H2,2H3;
InChIKeyOQPQVLDEWYBUTA-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.02
Rot. Bonds2

About (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium

(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium (PubChem CID 59524574) has the molecular formula C14H12O3Y and a molecular weight of 317.15 g/mol. Its IUPAC name is (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium.

Molecular Properties

Compound Name(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
PubChem CID59524574
Molecular FormulaC14H12O3Y
Molecular Weight317.15 g/mol
Exact Mass316.98
IUPAC Name(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium
SMILESC=C(C)C(=O)Oc1cccc2ccc(O)cc12.[Y]
InChIInChI=1S/C14H12O3.Y/c1-9(2)14(16)17-13-5-3-4-10-6-7-11(15)8-12(10)13;/h3-8,15H,1H2,2H3;
InChIKeyOQPQVLDEWYBUTA-UHFFFAOYSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(7-hydroxynaphthalen-1-yl) acetate
CID 130034551
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)
CID 59524605
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 141212738
[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 139671519
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
(7-hydroxynaphthalen-1-yl) 2,2-dimethylbutanoate
CID 57120356
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
N-(7-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide;yttrium
CID 59524572
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
CID 126550127
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834

Frequently Asked Questions

What is the IUPAC name of (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium?
The IUPAC name of (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium (CID 59524574) is (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium.
What is the SMILES notation for (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium?
The canonical SMILES for (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium is C=C(C)C(=O)Oc1cccc2ccc(O)cc12.[Y].
What is the InChIKey of (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium?
The InChIKey is OQPQVLDEWYBUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.Y/c1-9(2)14(16)17-13-5-3-4-10-6-7-11(15)8-12(10)13;/h3-8,15H,1H2,2H3;.
What are the key properties of (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium?
(7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium has a molecular weight of 317.15 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;yttrium is sourced from PubChem (CID 59524574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).