methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate

C19H22O7 — CID 19888538

About methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate

methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate (PubChem CID 19888538) has the molecular formula C19H22O7 and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate.

Molecular Properties

• Compound Name: methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate
• PubChem CID: 19888538
• Molecular Formula: C19H22O7
• Molecular Weight: 362.38 g/mol
• Exact Mass: 362.14
• IUPAC Name: methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate
• SMILES: COCC1(C)Oc2ccc(C(=O)OC)cc2C(OC2=CC(=O)CC2)C1O
• InChI: InChI=1S/C19H22O7/c1-19(10-23-2)17(21)16(25-13-6-5-12(20)9-13)14-8-11(18(22)24-3)4-7-15(14)26-19/h4,7-9,16-17,21H,5-6,10H2,1-3H3
• InChIKey: DWGTXZJPWDNRKS-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 91.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.38
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate?

The IUPAC name of methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate (CID 19888538) is methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate.

What is the SMILES notation for methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate?

The canonical SMILES for methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate is COCC1(C)Oc2ccc(C(=O)OC)cc2C(OC2=CC(=O)CC2)C1O.

What is the InChIKey of methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate?

The InChIKey is DWGTXZJPWDNRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O7/c1-19(10-23-2)17(21)16(25-13-6-5-12(20)9-13)14-8-11(18(22)24-3)4-7-15(14)26-19/h4,7-9,16-17,21H,5-6,10H2,1-3H3.

What are the key properties of methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate?

methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-hydroxy-2-(methoxymethyl)-2-methyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carboxylate is sourced from PubChem (CID 19888538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).