[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate

C74H70O21 — CID 163524077

About [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate

[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate (PubChem CID 163524077) has the molecular formula C74H70O21 and a molecular weight of 1295.35 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate.

Molecular Properties

• Compound Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
• PubChem CID: 163524077
• Molecular Formula: C74H70O21
• Molecular Weight: 1295.35 g/mol
• Exact Mass: 1294.44
• IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
• SMILES: COc1cc(CO)ccc1C(=O)COC(=O)c1cc(C)ccc1O.COc1cc(CO)ccc1C(=O)COC(=O)c1cc(C)ccc1O.COc1ccccc1C(=O)COC(=O)c1cc(C)ccc1O.Cc1ccc(C)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1
• InChI: InChI=1S/C21H18O4.2C18H18O6.C17H16O5/c1-13-7-8-14(2)17(9-13)20(23)12-25-21(24)18-10-15-5-3-4-6-16(15)11-19(18)22;2*1-11-3-6-15(20)14(7-11)18(22)24-10-16(21)13-5-4-12(9-19)8-17(13)23-2;1-11-7-8-14(18)13(9-11)17(20)22-10-15(19)12-5-3-4-6-16(12)21-2/h3-11,22H,12H2,1-2H3;2*3-8,19-20H,9-10H2,1-2H3;3-9,18H,10H2,1-2H3
• InChIKey: DNFUANCYCVTMGK-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 322.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1295.35
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate?

The IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate (CID 163524077) is [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate.

What is the SMILES notation for [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate?

The canonical SMILES for [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate is COc1cc(CO)ccc1C(=O)COC(=O)c1cc(C)ccc1O.COc1cc(CO)ccc1C(=O)COC(=O)c1cc(C)ccc1O.COc1ccccc1C(=O)COC(=O)c1cc(C)ccc1O.Cc1ccc(C)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c1.

What is the InChIKey of [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate?

The InChIKey is DNFUANCYCVTMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4.2C18H18O6.C17H16O5/c1-13-7-8-14(2)17(9-13)20(23)12-25-21(24)18-10-15-5-3-4-6-16(15)11-19(18)22;2*1-11-3-6-15(20)14(7-11)18(22)24-10-16(21)13-5-4-12(9-19)8-17(13)23-2;1-11-7-8-14(18)13(9-11)17(20)22-10-15(19)12-5-3-4-6-16(12)21-2/h3-11,22H,12H2,1-2H3;2*3-8,19-20H,9-10H2,1-2H3;3-9,18H,10H2,1-2H3.

What are the key properties of [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate?

[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate has a molecular weight of 1295.35 g/mol, XLogP of 11.43, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate;bis([2-[4-(hydroxymethyl)-2-methoxyphenyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate);[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methylbenzoate is sourced from PubChem (CID 163524077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).