(5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C27H30O5 — CID 10622710

About (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

(5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 10622710) has the molecular formula C27H30O5 and a molecular weight of 434.53 g/mol. Its IUPAC name is (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

• Compound Name: (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
• PubChem CID: 10622710
• Molecular Formula: C27H30O5
• Molecular Weight: 434.53 g/mol
• Exact Mass: 434.21
• IUPAC Name: (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
• SMILES: COc1ccc2cc([C@H](C)C(=O)OCC3(C)COc4c(C)c(C)c(O)c(C)c43)ccc2c1
• InChI: InChI=1S/C27H30O5/c1-15-16(2)25-23(18(4)24(15)28)27(5,13-31-25)14-32-26(29)17(3)19-7-8-21-12-22(30-6)10-9-20(21)11-19/h7-12,17,28H,13-14H2,1-6H3/t17-,27?/m0/s1
• InChIKey: QNVKQZSQJKZVRB-OIGLVOGNSA-N
• XLogP: 5.48
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.53
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?

The IUPAC name of (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 10622710) is (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

What is the SMILES notation for (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?

The canonical SMILES for (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCC3(C)COc4c(C)c(C)c(O)c(C)c43)ccc2c1.

What is the InChIKey of (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?

The InChIKey is QNVKQZSQJKZVRB-OIGLVOGNSA-N. The full InChI is InChI=1S/C27H30O5/c1-15-16(2)25-23(18(4)24(15)28)27(5,13-31-25)14-32-26(29)17(3)19-7-8-21-12-22(30-6)10-9-20(21)11-19/h7-12,17,28H,13-14H2,1-6H3/t17-,27?/m0/s1.

What are the key properties of (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?

(5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 434.53 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-hydroxy-3,4,6,7-tetramethyl-2H-1-benzofuran-3-yl)methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 10622710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).