methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate

C64H60O14 — CID 160887785

About methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate

methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate (PubChem CID 160887785) has the molecular formula C64H60O14 and a molecular weight of 1053.17 g/mol. Its IUPAC name is methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate.

Molecular Properties

• Compound Name: methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate
• PubChem CID: 160887785
• Molecular Formula: C64H60O14
• Molecular Weight: 1053.17 g/mol
• Exact Mass: 1052.40
• IUPAC Name: methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate
• SMILES: COC(=O)c1cc(Cc2ccc(OC)cc2)ccc1Oc1ccc(Cc2ccc(OC)cc2)cc1C(=O)OC.COC(=O)c1cc(Cc2ccc(Oc3ccc(Cc4ccc(OC)c(C(=O)OC)c4)cc3)cc2)ccc1OC
• InChI: InChI=1S/2C32H30O7/c1-35-29-15-9-23(19-27(29)31(33)37-3)17-21-5-11-25(12-6-21)39-26-13-7-22(8-14-26)18-24-10-16-30(36-2)28(20-24)32(34)38-4;1-35-25-11-5-21(6-12-25)17-23-9-15-29(27(19-23)31(33)37-3)39-30-16-10-24(20-28(30)32(34)38-4)18-22-7-13-26(36-2)14-8-22/h2*5-16,19-20H,17-18H2,1-4H3
• InChIKey: SNWFXJBPZVEQDY-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 160.58 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.17
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate?

The IUPAC name of methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate (CID 160887785) is methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate.

What is the SMILES notation for methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate?

The canonical SMILES for methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate is COC(=O)c1cc(Cc2ccc(OC)cc2)ccc1Oc1ccc(Cc2ccc(OC)cc2)cc1C(=O)OC.COC(=O)c1cc(Cc2ccc(Oc3ccc(Cc4ccc(OC)c(C(=O)OC)c4)cc3)cc2)ccc1OC.

What is the InChIKey of methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate?

The InChIKey is SNWFXJBPZVEQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H30O7/c1-35-29-15-9-23(19-27(29)31(33)37-3)17-21-5-11-25(12-6-21)39-26-13-7-22(8-14-26)18-24-10-16-30(36-2)28(20-24)32(34)38-4;1-35-25-11-5-21(6-12-25)17-23-9-15-29(27(19-23)31(33)37-3)39-30-16-10-24(20-28(30)32(34)38-4)18-22-7-13-26(36-2)14-8-22/h2*5-16,19-20H,17-18H2,1-4H3.

What are the key properties of methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate?

methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate has a molecular weight of 1053.17 g/mol, XLogP of 12.50, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate is sourced from PubChem (CID 160887785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).