(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)

C14H12O4Y2 — CID 59524605

IUPAC(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)
SMILESC=C(C)C(=O)Oc1cccc2c(O)cc(O)cc12.[Y].[Y]
InChIInChI=1S/C14H12O4.2Y/c1-8(2)14(17)18-13-5-3-4-10-11(13)6-9(15)7-12(10)16;;/h3-7,15-16H,1H2,2H3;;
InChIKeyIJJVQRZMWKHTNQ-UHFFFAOYSA-N
MW422.06 g/mol
LogP2.73
Rot. Bonds2

About (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)

(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium) (PubChem CID 59524605) has the molecular formula C14H12O4Y2 and a molecular weight of 422.06 g/mol. Its IUPAC name is (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium).

Molecular Properties

Compound Name(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)
PubChem CID59524605
Molecular FormulaC14H12O4Y2
Molecular Weight422.06 g/mol
Exact Mass421.89
IUPAC Name(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)
SMILESC=C(C)C(=O)Oc1cccc2c(O)cc(O)cc12.[Y].[Y]
InChIInChI=1S/C14H12O4.2Y/c1-8(2)14(17)18-13-5-3-4-10-11(13)6-9(15)7-12(10)16;;/h3-7,15-16H,1H2,2H3;;
InChIKeyIJJVQRZMWKHTNQ-UHFFFAOYSA-N
XLogP2.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.06
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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) 2-methylprop-2-enoate;yttrium
CID 59524574
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
CID 163683283
CID 163683283
(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
CID 162497593
(5-hydroxynaphthalen-1-yl) 2-methylprop-2-eneperoxoate
CID 87079463
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 141212738
[7-chloro-3-hydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate
CID 163406978
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
5-aminonaphthalen-1-ol;[5-(2-methylprop-2-enoylamino)naphthalen-1-yl] 2-methylprop-2-enoate
CID 161447927
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 139671519

Frequently Asked Questions

What is the IUPAC name of (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)?
The IUPAC name of (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium) (CID 59524605) is (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium).
What is the SMILES notation for (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)?
The canonical SMILES for (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium) is C=C(C)C(=O)Oc1cccc2c(O)cc(O)cc12.[Y].[Y].
What is the InChIKey of (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)?
The InChIKey is IJJVQRZMWKHTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4.2Y/c1-8(2)14(17)18-13-5-3-4-10-11(13)6-9(15)7-12(10)16;;/h3-7,15-16H,1H2,2H3;;.
What are the key properties of (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)?
(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium) has a molecular weight of 422.06 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium) is sourced from PubChem (CID 59524605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).