2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol

C21H24O5 — CID 10043816

About 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol

2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol (PubChem CID 10043816) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol.

Molecular Properties

• Compound Name: 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
• PubChem CID: 10043816
• Molecular Formula: C21H24O5
• Molecular Weight: 356.42 g/mol
• Exact Mass: 356.16
• IUPAC Name: 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
• SMILES: C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(O)c(OC)c(OC)c1)O2
• InChI: InChI=1S/C21H24O5/c1-6-7-13-8-15-12(2)19(26-20(15)17(9-13)23-3)14-10-16(22)21(25-5)18(11-14)24-4/h6-12,19,22H,1-5H3/b7-6+/t12-,19-/m0/s1
• InChIKey: VDEMDVPOVCCUKO-MJEIXVTBSA-N
• XLogP: 4.69
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.42
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol?

The IUPAC name of 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol (CID 10043816) is 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol.

What is the SMILES notation for 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol?

The canonical SMILES for 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol is C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(O)c(OC)c(OC)c1)O2.

What is the InChIKey of 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol?

The InChIKey is VDEMDVPOVCCUKO-MJEIXVTBSA-N. The full InChI is InChI=1S/C21H24O5/c1-6-7-13-8-15-12(2)19(26-20(15)17(9-13)23-3)14-10-16(22)21(25-5)18(11-14)24-4/h6-12,19,22H,1-5H3/b7-6+/t12-,19-/m0/s1.

What are the key properties of 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol?

2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol has a molecular weight of 356.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethoxy-5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol is sourced from PubChem (CID 10043816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).