[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate

C18H16O6 — CID 139671519

IUPAC[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc2ccc(O)cc2c(OC(=O)C(=C)C)c1O
InChIInChI=1S/C18H16O6/c1-9(2)17(21)23-14-7-11-5-6-12(19)8-13(11)16(15(14)20)24-18(22)10(3)4/h5-8,19-20H,1,3H2,2,4H3
InChIKeyVKJNGAVDZVLRSC-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.21
Rot. Bonds4

About [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate

[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 139671519) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID139671519
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc2ccc(O)cc2c(OC(=O)C(=C)C)c1O
InChIInChI=1S/C18H16O6/c1-9(2)17(21)23-14-7-11-5-6-12(19)8-13(11)16(15(14)20)24-18(22)10(3)4/h5-8,19-20H,1,3H2,2,4H3
InChIKeyVKJNGAVDZVLRSC-UHFFFAOYSA-N
XLogP3.21
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
[4-hydroxy-2-(2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate
CID 90250863
[4-[6,7-bis(2-methylprop-2-enoyloxy)naphthalen-2-yl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[3,6,7-tris(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylprop-2-enoate
CID 161197978
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
(5,7-dihydroxynaphthalen-1-yl) 2-methylprop-2-enoate;bis(yttrium)
CID 59524605
[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
(6-hydroxynaphthalen-1-yl)methyl 2-methylprop-2-enoate
CID 126550127
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
(6,7-diaminonaphthalen-1-yl) 2-methylprop-2-enoate
CID 141212738
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
(2,4-dihydroxy-3-iodo-5-methoxyphenyl) 2-methylprop-2-enoate
CID 163887964
(7-hydroxynaphthalen-1-yl) acetate
CID 130034551

Frequently Asked Questions

What is the IUPAC name of [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate (CID 139671519) is [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc2ccc(O)cc2c(OC(=O)C(=C)C)c1O.
What is the InChIKey of [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is VKJNGAVDZVLRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-9(2)17(21)23-14-7-11-5-6-12(19)8-13(11)16(15(14)20)24-18(22)10(3)4/h5-8,19-20H,1,3H2,2,4H3.
What are the key properties of [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate?
[3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 328.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dihydroxy-4-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 139671519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).