(2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate

C126H146O20 — CID 158495628

About (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate

(2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 158495628) has the molecular formula C126H146O20 and a molecular weight of 1980.53 g/mol. Its IUPAC name is (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

• Compound Name: (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
• PubChem CID: 158495628
• Molecular Formula: C126H146O20
• Molecular Weight: 1980.53 g/mol
• Exact Mass: 1979.04
• IUPAC Name: (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
• SMILES: C=CO[C@H](C(=O)OC)c1c(C)ccc(C2CC2)c1-c1ccc2c(c1C)CCCO2.COC(=O)[C@@H](O)c1c(C)ccc(C2CC2)c1-c1ccc2c(c1C)CCCO2.COC(=O)[C@@H](OC(C)(C)C)c1c(C)ccc(C2CC2)c1-c1ccc2c(c1C)CCCO2.COC(=O)[C@@H](OC1CC1)c1c(C)ccc(C2CC2)c1-c1ccc2c(c1C)CCCO2.Cc1ccc(C2CC2)c(-c2ccc3c(c2C)CCCO3)c1[C@H](OC1CC1)C(=O)O
• InChI: InChI=1S/C27H34O4.C26H30O4.2C25H28O4.C23H26O4/c1-16-9-12-21(18-10-11-18)24(23(16)25(26(28)29-6)31-27(3,4)5)20-13-14-22-19(17(20)2)8-7-15-30-22;1-15-6-11-21(17-7-8-17)24(23(15)25(26(27)28-3)30-18-9-10-18)20-12-13-22-19(16(20)2)5-4-14-29-22;1-14-5-10-20(16-6-7-16)23(22(14)24(25(26)27)29-17-8-9-17)19-11-12-21-18(15(19)2)4-3-13-28-21;1-5-28-24(25(26)27-4)22-15(2)8-11-20(17-9-10-17)23(22)19-12-13-21-18(16(19)3)7-6-14-29-21;1-13-6-9-18(15-7-8-15)21(20(13)22(24)23(25)26-3)17-10-11-19-16(14(17)2)5-4-12-27-19/h9,12-14,18,25H,7-8,10-11,15H2,1-6H3;6,11-13,17-18,25H,4-5,7-10,14H2,1-3H3;5,10-12,16-17,24H,3-4,6-9,13H2,1-2H3,(H,26,27);5,8,11-13,17,24H,1,6-7,9-10,14H2,2-4H3;6,9-11,15,22,24H,4-5,7-8,12H2,1-3H3/t2*25-;2*24-;22-/m00000/s1
• InChIKey: HJGCSTLPOQIMJS-AXMLFCOVSA-N
• XLogP: 27.17
• TPSA: 245.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.53
LogP ≤ 5	27.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The IUPAC name of (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 158495628) is (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate.

What is the SMILES notation for (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The canonical SMILES for (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate is C=CO[C@H](C(=O)OC)c1c(C)ccc(C2CC2)c1-c1ccc2c(c1C)CCCO2.COC(=O)[C@@H](O)c1c(C)ccc(C2CC2)c1-c1ccc2c(c1C)CCCO2.COC(=O)[C@@H](OC(C)(C)C)c1c(C)ccc(C2CC2)c1-c1ccc2c(c1C)CCCO2.COC(=O)[C@@H](OC1CC1)c1c(C)ccc(C2CC2)c1-c1ccc2c(c1C)CCCO2.Cc1ccc(C2CC2)c(-c2ccc3c(c2C)CCCO3)c1[C@H](OC1CC1)C(=O)O.

What is the InChIKey of (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The InChIKey is HJGCSTLPOQIMJS-AXMLFCOVSA-N. The full InChI is InChI=1S/C27H34O4.C26H30O4.2C25H28O4.C23H26O4/c1-16-9-12-21(18-10-11-18)24(23(16)25(26(28)29-6)31-27(3,4)5)20-13-14-22-19(17(20)2)8-7-15-30-22;1-15-6-11-21(17-7-8-17)24(23(15)25(26(27)28-3)30-18-9-10-18)20-12-13-22-19(16(20)2)5-4-14-29-22;1-14-5-10-20(16-6-7-16)23(22(14)24(25(26)27)29-17-8-9-17)19-11-12-21-18(15(19)2)4-3-13-28-21;1-5-28-24(25(26)27-4)22-15(2)8-11-20(17-9-10-17)23(22)19-12-13-21-18(16(19)3)7-6-14-29-21;1-13-6-9-18(15-7-8-15)21(20(13)22(24)23(25)26-3)17-10-11-19-16(14(17)2)5-4-12-27-19/h9,12-14,18,25H,7-8,10-11,15H2,1-6H3;6,11-13,17-18,25H,4-5,7-10,14H2,1-3H3;5,10-12,16-17,24H,3-4,6-9,13H2,1-2H3,(H,26,27);5,8,11-13,17,24H,1,6-7,9-10,14H2,2-4H3;6,9-11,15,22,24H,4-5,7-8,12H2,1-3H3/t2*25-;2*24-;22-/m00000/s1.

What are the key properties of (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

(2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 1980.53 g/mol, XLogP of 27.17, 27 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetic acid;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-cyclopropyloxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-ethenoxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-hydroxyacetate;methyl (2S)-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2H-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 158495628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).