2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol

C158H160O30 — CID 161396704

About 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol

2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol (PubChem CID 161396704) has the molecular formula C158H160O30 and a molecular weight of 2538.99 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol.

Molecular Properties

• Compound Name: 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol
• PubChem CID: 161396704
• Molecular Formula: C158H160O30
• Molecular Weight: 2538.99 g/mol
• Exact Mass: 2537.10
• IUPAC Name: 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol
• SMILES: C=C(C)C(=O)OC1CC(=O)c2ccccc21.C=C(C)C(=O)OC1COc2ccccc21.C=C(C)C(=O)OCc1ccc(O)cc1.C=C(C)C(=O)Oc1cc(C)c(O)c(C)c1.C=C(C)C(=O)Oc1ccc(O)cc1.C=C(C)c1cccc2c(O)cccc12.C=Cc1ccc(O)cc1.C=Cc1ccc(OC(C)(C)C)cc1.C=Cc1ccc(OC(C)=O)cc1.C=Cc1ccc(OC(C)C)cc1.C=Cc1ccc(OC)cc1.C=Cc1ccc(OC=O)cc1.C=Cc1ccc2c(c1)C(=O)OC2.C=Cc1ccc2c(c1)C(=O)OC2=O.C=Cc1cccc(O)c1
• InChI: InChI=1S/C13H12O3.C13H12O.C12H12O3.C12H14O3.C12H16O.C11H12O3.C11H14O.C10H6O3.C10H10O3.C10H8O2.C10H10O2.C9H8O2.C9H10O.2C8H8O/c1-8(2)13(15)16-12-7-11(14)9-5-3-4-6-10(9)12;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)12(13)15-11-7-14-10-6-4-3-5-9(10)11;1-7(2)12(14)15-10-5-8(3)11(13)9(4)6-10;1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-8(2)11(13)14-7-9-3-5-10(12)6-4-9;1-4-10-5-7-11(8-6-10)12-9(2)3;1-2-6-3-4-7-8(5-6)10(12)13-9(7)11;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-2-7-3-4-8-6-12-10(11)9(8)5-7;1-3-9-4-6-10(7-5-9)12-8(2)11;1-2-8-3-5-9(6-4-8)11-7-10;1-3-8-4-6-9(10-2)7-5-8;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7/h3-6,12H,1,7H2,2H3;3-8,14H,1H2,2H3;3-6,11H,1,7H2,2H3;5-6,13H,1H2,2-4H3;5-9H,1H2,2-4H3;3-6,12H,1,7H2,2H3;4-9H,1H2,2-3H3;2-5H,1H2;3-6,11H,1H2,2H3;2-5H,1,6H2;3-7H,1H2,2H3;2-7H,1H2;3-7H,1H2,2H3;2*2-6,9H,1H2
• InChIKey: VTRQZYMEOFSRRC-UHFFFAOYSA-N
• XLogP: 35.42
• TPSA: 429.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2538.99
LogP ≤ 5	35.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol?

The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol (CID 161396704) is 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol.

What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol?

The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol is C=C(C)C(=O)OC1CC(=O)c2ccccc21.C=C(C)C(=O)OC1COc2ccccc21.C=C(C)C(=O)OCc1ccc(O)cc1.C=C(C)C(=O)Oc1cc(C)c(O)c(C)c1.C=C(C)C(=O)Oc1ccc(O)cc1.C=C(C)c1cccc2c(O)cccc12.C=Cc1ccc(O)cc1.C=Cc1ccc(OC(C)(C)C)cc1.C=Cc1ccc(OC(C)=O)cc1.C=Cc1ccc(OC(C)C)cc1.C=Cc1ccc(OC)cc1.C=Cc1ccc(OC=O)cc1.C=Cc1ccc2c(c1)C(=O)OC2.C=Cc1ccc2c(c1)C(=O)OC2=O.C=Cc1cccc(O)c1.

What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol?

The InChIKey is VTRQZYMEOFSRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3.C13H12O.C12H12O3.C12H14O3.C12H16O.C11H12O3.C11H14O.C10H6O3.C10H10O3.C10H8O2.C10H10O2.C9H8O2.C9H10O.2C8H8O/c1-8(2)13(15)16-12-7-11(14)9-5-3-4-6-10(9)12;1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)12(13)15-11-7-14-10-6-4-3-5-9(10)11;1-7(2)12(14)15-10-5-8(3)11(13)9(4)6-10;1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-8(2)11(13)14-7-9-3-5-10(12)6-4-9;1-4-10-5-7-11(8-6-10)12-9(2)3;1-2-6-3-4-7-8(5-6)10(12)13-9(7)11;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-2-7-3-4-8-6-12-10(11)9(8)5-7;1-3-9-4-6-10(7-5-9)12-8(2)11;1-2-8-3-5-9(6-4-8)11-7-10;1-3-8-4-6-9(10-2)7-5-8;1-2-7-3-5-8(9)6-4-7;1-2-7-4-3-5-8(9)6-7/h3-6,12H,1,7H2,2H3;3-8,14H,1H2,2H3;3-6,11H,1,7H2,2H3;5-6,13H,1H2,2-4H3;5-9H,1H2,2-4H3;3-6,12H,1,7H2,2H3;4-9H,1H2,2-3H3;2-5H,1H2;3-6,11H,1H2,2H3;2-5H,1,6H2;3-7H,1H2,2H3;2-7H,1H2;3-7H,1H2,2H3;2*2-6,9H,1H2.

What are the key properties of 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol?

2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol has a molecular weight of 2538.99 g/mol, XLogP of 35.42, 28 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1-benzofuran-3-yl 2-methylprop-2-enoate;5-ethenyl-2-benzofuran-1,3-dione;6-ethenyl-3H-2-benzofuran-1-one;1-ethenyl-4-methoxybenzene;1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene;3-ethenylphenol;4-ethenylphenol;(4-ethenylphenyl) acetate;(4-ethenylphenyl) formate;1-ethenyl-4-propan-2-yloxybenzene;(4-hydroxy-3,5-dimethylphenyl) 2-methylprop-2-enoate;(4-hydroxyphenyl)methyl 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;(3-oxo-1,2-dihydroinden-1-yl) 2-methylprop-2-enoate;5-prop-1-en-2-ylnaphthalen-1-ol is sourced from PubChem (CID 161396704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).