(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one

C26H30O5 — CID 162934184

About (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one

(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one (PubChem CID 162934184) has the molecular formula C26H30O5 and a molecular weight of 422.52 g/mol. Its IUPAC name is (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
• PubChem CID: 162934184
• Molecular Formula: C26H30O5
• Molecular Weight: 422.52 g/mol
• Exact Mass: 422.21
• IUPAC Name: (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
• SMILES: C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(C)c2c1O[C@H](c1ccc(O)cc1O)CC2=O
• InChI: InChI=1S/C26H30O5/c1-14(2)6-7-17(15(3)4)11-20-21(28)10-16(5)25-23(30)13-24(31-26(20)25)19-9-8-18(27)12-22(19)29/h6,8-10,12,17,24,27-29H,3,7,11,13H2,1-2,4-5H3/t17-,24-/m0/s1
• InChIKey: DKEYBVYGENRHLN-XDHUDOTRSA-N
• XLogP: 5.91
• TPSA: 86.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.52
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one?

The IUPAC name of (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one (CID 162934184) is (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one.

What is the SMILES notation for (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one?

The canonical SMILES for (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one is C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(C)c2c1O[C@H](c1ccc(O)cc1O)CC2=O.

What is the InChIKey of (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one?

The InChIKey is DKEYBVYGENRHLN-XDHUDOTRSA-N. The full InChI is InChI=1S/C26H30O5/c1-14(2)6-7-17(15(3)4)11-20-21(28)10-16(5)25-23(30)13-24(31-26(20)25)19-9-8-18(27)12-22(19)29/h6,8-10,12,17,24,27-29H,3,7,11,13H2,1-2,4-5H3/t17-,24-/m0/s1.

What are the key properties of (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one?

(2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one has a molecular weight of 422.52 g/mol, XLogP of 5.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methyl-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162934184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).