2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane

C92H104O15 — CID 159528043

About 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane

2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane (PubChem CID 159528043) has the molecular formula C92H104O15 and a molecular weight of 1449.83 g/mol. Its IUPAC name is 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane.

Molecular Properties

• Compound Name: 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane
• PubChem CID: 159528043
• Molecular Formula: C92H104O15
• Molecular Weight: 1449.83 g/mol
• Exact Mass: 1448.74
• IUPAC Name: 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane
• SMILES: C=CCOc1c(CC2CO2)cccc1CC1CO1.C=CCOc1ccc(C(=O)OCC2CC2)cc1.C=CCOc1ccc(OCC2CO2)cc1.C=CCc1cccc(Cc2cc(CC=C)c(O)c(Cc3cccc(CC=C)c3O)c2)c1O.CC(C)(c1ccc(OCC2CC2)cc1)c1ccc(OCC2CO2)cc1
• InChI: InChI=1S/C29H30O3.C22H26O3.C15H18O3.C14H16O3.C12H14O3/c1-4-9-21-12-7-14-24(27(21)30)17-20-16-23(11-6-3)29(32)26(18-20)19-25-15-8-13-22(10-5-2)28(25)31;1-22(2,17-5-9-19(10-6-17)23-13-16-3-4-16)18-7-11-20(12-8-18)24-14-21-15-25-21;1-2-6-16-15-11(7-13-9-17-13)4-3-5-12(15)8-14-10-18-14;1-2-9-16-13-7-5-12(6-8-13)14(15)17-10-11-3-4-11;1-2-7-13-10-3-5-11(6-4-10)14-8-12-9-15-12/h4-8,12-16,18,30-32H,1-3,9-11,17,19H2;5-12,16,21H,3-4,13-15H2,1-2H3;2-5,13-14H,1,6-10H2;2,5-8,11H,1,3-4,9-10H2;2-6,12H,1,7-9H2
• InChIKey: MCPZVOVMVNTJBH-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 192.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 37
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.83
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane?

The IUPAC name of 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane (CID 159528043) is 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane.

What is the SMILES notation for 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane?

The canonical SMILES for 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane is C=CCOc1c(CC2CO2)cccc1CC1CO1.C=CCOc1ccc(C(=O)OCC2CC2)cc1.C=CCOc1ccc(OCC2CO2)cc1.C=CCc1cccc(Cc2cc(CC=C)c(O)c(Cc3cccc(CC=C)c3O)c2)c1O.CC(C)(c1ccc(OCC2CC2)cc1)c1ccc(OCC2CO2)cc1.

What is the InChIKey of 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane?

The InChIKey is MCPZVOVMVNTJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O3.C22H26O3.C15H18O3.C14H16O3.C12H14O3/c1-4-9-21-12-7-14-24(27(21)30)17-20-16-23(11-6-3)29(32)26(18-20)19-25-15-8-13-22(10-5-2)28(25)31;1-22(2,17-5-9-19(10-6-17)23-13-16-3-4-16)18-7-11-20(12-8-18)24-14-21-15-25-21;1-2-6-16-15-11(7-13-9-17-13)4-3-5-12(15)8-14-10-18-14;1-2-9-16-13-7-5-12(6-8-13)14(15)17-10-11-3-4-11;1-2-7-13-10-3-5-11(6-4-10)14-8-12-9-15-12/h4-8,12-16,18,30-32H,1-3,9-11,17,19H2;5-12,16,21H,3-4,13-15H2,1-2H3;2-5,13-14H,1,6-10H2;2,5-8,11H,1,3-4,9-10H2;2-6,12H,1,7-9H2.

What are the key properties of 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane?

2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane has a molecular weight of 1449.83 g/mol, XLogP of 17.73, 37 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[(2-hydroxy-3-prop-2-enylphenyl)methyl]-6-prop-2-enylphenol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;cyclopropylmethyl 4-prop-2-enoxybenzoate;2-[[3-(oxiran-2-ylmethyl)-2-prop-2-enoxyphenyl]methyl]oxirane;2-[(4-prop-2-enoxyphenoxy)methyl]oxirane is sourced from PubChem (CID 159528043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).