propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate

C30H34O8 — CID 10815874

About propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate

propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate (PubChem CID 10815874) has the molecular formula C30H34O8 and a molecular weight of 522.59 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate.

Molecular Properties

• Compound Name: propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate
• PubChem CID: 10815874
• Molecular Formula: C30H34O8
• Molecular Weight: 522.59 g/mol
• Exact Mass: 522.23
• IUPAC Name: propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate
• SMILES: COc1ccc(COc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)OC(C)C)c(O)c3C)c(OC)c2C)cc1
• InChI: InChI=1S/C30H34O8/c1-16(2)37-29(32)25-17(3)14-24(19(5)27(25)31)38-30(33)26-18(4)13-23(20(6)28(26)35-8)36-15-21-9-11-22(34-7)12-10-21/h9-14,16,31H,15H2,1-8H3
• InChIKey: JRQPMENKIWWCDT-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 100.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.59
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate?

The IUPAC name of propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate (CID 10815874) is propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate.

What is the SMILES notation for propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate?

The canonical SMILES for propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate is COc1ccc(COc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)OC(C)C)c(O)c3C)c(OC)c2C)cc1.

What is the InChIKey of propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate?

The InChIKey is JRQPMENKIWWCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O8/c1-16(2)37-29(32)25-17(3)14-24(19(5)27(25)31)38-30(33)26-18(4)13-23(20(6)28(26)35-8)36-15-21-9-11-22(34-7)12-10-21/h9-14,16,31H,15H2,1-8H3.

What are the key properties of propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate?

propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate has a molecular weight of 522.59 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-hydroxy-4-[2-methoxy-4-[(4-methoxyphenyl)methoxy]-3,6-dimethylbenzoyl]oxy-3,6-dimethylbenzoate is sourced from PubChem (CID 10815874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).