(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate

C135H110O34 — CID 158607208

IUPAC(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate
SMILESC=C(C)C(=O)Oc1cc2ccccc2cc1OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c2ccccc12.C=C(C)C(=O)Oc1ccc2cc(OC(=O)C(=C)C)ccc2c1.C=CC(=O)Oc1cc(OC)c(OC(=O)C=C)c2ccccc12.C=CC(=O)Oc1ccc(OC(=O)C=C)c2c(O)cccc12.C=CC(=O)Oc1ccc(OC(=O)C=C)c2ccccc12.C=CC(=O)Oc1ccc2c(OC(=O)C=C)cccc2c1.C=CC(=O)Oc1cccc2c(OC(=O)C=C)cccc12
InChIInChI=1S/3C18H16O4.C17H14O5.C16H12O5.3C16H12O4/c1-11(2)17(19)21-15-7-5-14-10-16(8-6-13(14)9-15)22-18(20)12(3)4;1-11(2)17(19)21-15-9-13-7-5-6-8-14(13)10-16(15)22-18(20)12(3)4;1-11(2)17(19)21-15-9-10-16(22-18(20)12(3)4)14-8-6-5-7-13(14)15;1-4-15(18)21-13-10-14(20-3)17(22-16(19)5-2)12-9-7-6-8-11(12)13;1-3-14(18)20-12-8-9-13(21-15(19)4-2)16-10(12)6-5-7-11(16)17;1-3-15(17)19-13-9-5-8-12-11(13)7-6-10-14(12)20-16(18)4-2;1-3-15(17)19-12-8-9-13-11(10-12)6-5-7-14(13)20-16(18)4-2;1-3-15(17)19-13-9-10-14(20-16(18)4-2)12-8-6-5-7-11(12)13/h3*5-10H,1,3H2,2,4H3;4-10H,1-2H2,3H3;3-9,17H,1-2H2;3*3-10H,1-2H2
InChIKeyHWJOEEHVBPJTBF-UHFFFAOYSA-N
MW2276.33 g/mol
LogP26.24
Rot. Bonds33

About (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate

(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate (PubChem CID 158607208) has the molecular formula C135H110O34 and a molecular weight of 2276.33 g/mol. Its IUPAC name is (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate
PubChem CID158607208
Molecular FormulaC135H110O34
Molecular Weight2276.33 g/mol
Exact Mass2274.69
IUPAC Name(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate
SMILESC=C(C)C(=O)Oc1cc2ccccc2cc1OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c2ccccc12.C=C(C)C(=O)Oc1ccc2cc(OC(=O)C(=C)C)ccc2c1.C=CC(=O)Oc1cc(OC)c(OC(=O)C=C)c2ccccc12.C=CC(=O)Oc1ccc(OC(=O)C=C)c2c(O)cccc12.C=CC(=O)Oc1ccc(OC(=O)C=C)c2ccccc12.C=CC(=O)Oc1ccc2c(OC(=O)C=C)cccc2c1.C=CC(=O)Oc1cccc2c(OC(=O)C=C)cccc12
InChIInChI=1S/3C18H16O4.C17H14O5.C16H12O5.3C16H12O4/c1-11(2)17(19)21-15-7-5-14-10-16(8-6-13(14)9-15)22-18(20)12(3)4;1-11(2)17(19)21-15-9-13-7-5-6-8-14(13)10-16(15)22-18(20)12(3)4;1-11(2)17(19)21-15-9-10-16(22-18(20)12(3)4)14-8-6-5-7-13(14)15;1-4-15(18)21-13-10-14(20-3)17(22-16(19)5-2)12-9-7-6-8-11(12)13;1-3-14(18)20-12-8-9-13(21-15(19)4-2)16-10(12)6-5-7-11(16)17;1-3-15(17)19-13-9-5-8-12-11(13)7-6-10-14(12)20-16(18)4-2;1-3-15(17)19-12-8-9-13-11(10-12)6-5-7-14(13)20-16(18)4-2;1-3-15(17)19-13-9-10-14(20-16(18)4-2)12-8-6-5-7-11(12)13/h3*5-10H,1,3H2,2,4H3;4-10H,1-2H2,3H3;3-9,17H,1-2H2;3*3-10H,1-2H2
InChIKeyHWJOEEHVBPJTBF-UHFFFAOYSA-N
XLogP26.24
TPSA450.26 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms169
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002276.33
LogP ≤ 526.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate?
The IUPAC name of (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate (CID 158607208) is (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate.
What is the SMILES notation for (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate?
The canonical SMILES for (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate is C=C(C)C(=O)Oc1cc2ccccc2cc1OC(=O)C(=C)C.C=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)c2ccccc12.C=C(C)C(=O)Oc1ccc2cc(OC(=O)C(=C)C)ccc2c1.C=CC(=O)Oc1cc(OC)c(OC(=O)C=C)c2ccccc12.C=CC(=O)Oc1ccc(OC(=O)C=C)c2c(O)cccc12.C=CC(=O)Oc1ccc(OC(=O)C=C)c2ccccc12.C=CC(=O)Oc1ccc2c(OC(=O)C=C)cccc2c1.C=CC(=O)Oc1cccc2c(OC(=O)C=C)cccc12.
What is the InChIKey of (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate?
The InChIKey is HWJOEEHVBPJTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H16O4.C17H14O5.C16H12O5.3C16H12O4/c1-11(2)17(19)21-15-7-5-14-10-16(8-6-13(14)9-15)22-18(20)12(3)4;1-11(2)17(19)21-15-9-13-7-5-6-8-14(13)10-16(15)22-18(20)12(3)4;1-11(2)17(19)21-15-9-10-16(22-18(20)12(3)4)14-8-6-5-7-13(14)15;1-4-15(18)21-13-10-14(20-3)17(22-16(19)5-2)12-9-7-6-8-11(12)13;1-3-14(18)20-12-8-9-13(21-15(19)4-2)16-10(12)6-5-7-11(16)17;1-3-15(17)19-13-9-5-8-12-11(13)7-6-10-14(12)20-16(18)4-2;1-3-15(17)19-12-8-9-13-11(10-12)6-5-7-14(13)20-16(18)4-2;1-3-15(17)19-13-9-10-14(20-16(18)4-2)12-8-6-5-7-11(12)13/h3*5-10H,1,3H2,2,4H3;4-10H,1-2H2,3H3;3-9,17H,1-2H2;3*3-10H,1-2H2.
What are the key properties of (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate?
(5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate has a molecular weight of 2276.33 g/mol, XLogP of 26.24, 33 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(3-methoxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;[3-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;[4-(2-methylprop-2-enoyloxy)naphthalen-1-yl] 2-methylprop-2-enoate;[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(5-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate is sourced from PubChem (CID 158607208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).