(2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol

C24H26O6 — CID 141449750

About (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol

(2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol (PubChem CID 141449750) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol.

Molecular Properties

• Compound Name: (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol
• PubChem CID: 141449750
• Molecular Formula: C24H26O6
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.17
• IUPAC Name: (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol
• SMILES: C=C(C)[C@H]1Cc2c(ccc([C@H](O)C34CC3COc3cc(OC)c(OC)cc34)c2O)O1
• InChI: InChI=1S/C24H26O6/c1-12(2)18-7-15-17(30-18)6-5-14(22(15)25)23(26)24-10-13(24)11-29-19-9-21(28-4)20(27-3)8-16(19)24/h5-6,8-9,13,18,23,25-26H,1,7,10-11H2,2-4H3/t13?,18-,23+,24?/m1/s1
• InChIKey: JPEDVTYPAINNBY-DODQUCBPSA-N
• XLogP: 3.67
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol?

The IUPAC name of (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol (CID 141449750) is (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol.

What is the SMILES notation for (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol?

The canonical SMILES for (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol is C=C(C)[C@H]1Cc2c(ccc([C@H](O)C34CC3COc3cc(OC)c(OC)cc34)c2O)O1.

What is the InChIKey of (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol?

The InChIKey is JPEDVTYPAINNBY-DODQUCBPSA-N. The full InChI is InChI=1S/C24H26O6/c1-12(2)18-7-15-17(30-18)6-5-14(22(15)25)23(26)24-10-13(24)11-29-19-9-21(28-4)20(27-3)8-16(19)24/h5-6,8-9,13,18,23,25-26H,1,7,10-11H2,2-4H3/t13?,18-,23+,24?/m1/s1.

What are the key properties of (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol?

(2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol has a molecular weight of 410.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-[(R)-(5,6-dimethoxy-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl)-hydroxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-4-ol is sourced from PubChem (CID 141449750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).