[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C28H32O5 — CID 100946335

About [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 100946335) has the molecular formula C28H32O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

• Compound Name: [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
• PubChem CID: 100946335
• Molecular Formula: C28H32O5
• Molecular Weight: 448.56 g/mol
• Exact Mass: 448.22
• IUPAC Name: [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
• SMILES: COc1ccc2cc([C@H](C)C(=O)OC[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1
• InChI: InChI=1S/C28H32O5/c1-16-17(2)26-24(19(4)25(16)29)11-12-28(5,33-26)15-32-27(30)18(3)20-7-8-22-14-23(31-6)10-9-21(22)13-20/h7-10,13-14,18,29H,11-12,15H2,1-6H3/t18-,28+/m0/s1
• InChIKey: LJROIJOTAXGHOO-XDBZFTIUSA-N
• XLogP: 5.91
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.56
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?

The IUPAC name of [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 100946335) is [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

What is the SMILES notation for [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?

The canonical SMILES for [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OC[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)ccc2c1.

What is the InChIKey of [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?

The InChIKey is LJROIJOTAXGHOO-XDBZFTIUSA-N. The full InChI is InChI=1S/C28H32O5/c1-16-17(2)26-24(19(4)25(16)29)11-12-28(5,33-26)15-32-27(30)18(3)20-7-8-22-14-23(31-6)10-9-21(22)13-20/h7-10,13-14,18,29H,11-12,15H2,1-6H3/t18-,28+/m0/s1.

What are the key properties of [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?

[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 448.56 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 100946335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).