cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid

C15H18O4 — CID 51888079

About cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid (PubChem CID 51888079) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
• PubChem CID: 51888079
• Molecular Formula: C15H18O4
• Molecular Weight: 262.30 g/mol
• Exact Mass: 262.12
• IUPAC Name: cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
• SMILES: CCOc1cc2c(cc1[C@H]1C[C@H]1C(=O)O)O[C@H](C)C2
• InChI: InChI=1S/C15H18O4/c1-3-18-14-5-9-4-8(2)19-13(9)7-11(14)10-6-12(10)15(16)17/h5,7-8,10,12H,3-4,6H2,1-2H3,(H,16,17)/t8-,10-,12-/m1/s1
• InChIKey: DMDVIBGYZMPAGS-HLUHBDAQSA-N
• XLogP: 2.60
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.30
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid?

The IUPAC name of cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid (CID 51888079) is cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid?

The canonical SMILES for cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid is CCOc1cc2c(cc1[C@H]1C[C@H]1C(=O)O)O[C@H](C)C2.

What is the InChIKey of cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid?

The InChIKey is DMDVIBGYZMPAGS-HLUHBDAQSA-N. The full InChI is InChI=1S/C15H18O4/c1-3-18-14-5-9-4-8(2)19-13(9)7-11(14)10-6-12(10)15(16)17/h5,7-8,10,12H,3-4,6H2,1-2H3,(H,16,17)/t8-,10-,12-/m1/s1.

What are the key properties of cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid?

cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid has a molecular weight of 262.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51888079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).