(2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione)

C159H208Cl2N6O32 — CID 159161719

About (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione)

(2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione) (PubChem CID 159161719) has the molecular formula C159H208Cl2N6O32 and a molecular weight of 2786.33 g/mol. Its IUPAC name is (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione).

Molecular Properties

• Compound Name: (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione)
• PubChem CID: 159161719
• Molecular Formula: C159H208Cl2N6O32
• Molecular Weight: 2786.33 g/mol
• Exact Mass: 2783.42
• IUPAC Name: (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione)
• SMILES: CNC.CNC.COc1cccc(CCc2ccccc2CC[C@@H]2CO2)c1.COc1cccc(CCc2ccccc2CC[C@@H]2CO2)c1.COc1cccc(CCc2ccccc2O)c1.COc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(=O)O)c1.COc1cccc(CCc2ccccc2OC[C@@H](O)CN(C)C)c1.COc1cccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)CCC(=O)O)c1.COc1cccc(CCc2ccccc2OC[C@H](O)CN(C)C)c1.ClC[C@@H]1CO1.ClC[C@H]1CO1.O=C1CCC(=O)O1.O=C1CCC(=O)O1
• InChI: InChI=1S/2C24H31NO6.2C20H27NO3.2C19H22O2.C15H16O2.2C4H4O3.2C3H5ClO.2C2H7N/c2*1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;2*1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3;2*1-20-18-8-4-5-15(13-18)9-10-16-6-2-3-7-17(16)11-12-19-14-21-19;1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16;2*5-3-1-2-4(6)7-3;2*4-1-3-2-5-3;2*1-3-2/h2*4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);2*4-10,13,18,22H,11-12,14-15H2,1-3H3;2*2-8,13,19H,9-12,14H2,1H3;2-8,11,16H,9-10H2,1H3;2*1-2H2;2*3H,1-2H2;2*3H,1-2H3/t2*21-;2*18-;2*19-;;;;2*3-;;/m101011...10../s1
• InChIKey: KKOLXFVDKMLYKG-NAYYVVELSA-N
• XLogP: 23.39
• TPSA: 463.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 64
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2786.33
LogP ≤ 5	23.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione)?

The IUPAC name of (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione) (CID 159161719) is (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione).

What is the SMILES notation for (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione)?

The canonical SMILES for (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione) is CNC.CNC.COc1cccc(CCc2ccccc2CC[C@@H]2CO2)c1.COc1cccc(CCc2ccccc2CC[C@@H]2CO2)c1.COc1cccc(CCc2ccccc2O)c1.COc1cccc(CCc2ccccc2OC[C@@H](CN(C)C)OC(=O)CCC(=O)O)c1.COc1cccc(CCc2ccccc2OC[C@@H](O)CN(C)C)c1.COc1cccc(CCc2ccccc2OC[C@H](CN(C)C)OC(=O)CCC(=O)O)c1.COc1cccc(CCc2ccccc2OC[C@H](O)CN(C)C)c1.ClC[C@@H]1CO1.ClC[C@H]1CO1.O=C1CCC(=O)O1.O=C1CCC(=O)O1.

What is the InChIKey of (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione)?

The InChIKey is KKOLXFVDKMLYKG-NAYYVVELSA-N. The full InChI is InChI=1S/2C24H31NO6.2C20H27NO3.2C19H22O2.C15H16O2.2C4H4O3.2C3H5ClO.2C2H7N/c2*1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;2*1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3;2*1-20-18-8-4-5-15(13-18)9-10-16-6-2-3-7-17(16)11-12-19-14-21-19;1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16;2*5-3-1-2-4(6)7-3;2*4-1-3-2-5-3;2*1-3-2/h2*4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);2*4-10,13,18,22H,11-12,14-15H2,1-3H3;2*2-8,13,19H,9-12,14H2,1H3;2-8,11,16H,9-10H2,1H3;2*1-2H2;2*3H,1-2H2;2*3H,1-2H3/t2*21-;2*18-;2*19-;;;;2*3-;;/m101011...10../s1.

What are the key properties of (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione)?

(2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione) has a molecular weight of 2786.33 g/mol, XLogP of 23.39, 64 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(chloromethyl)oxirane;(2S)-2-(chloromethyl)oxirane;(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;4-[(2R)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;4-[(2S)-1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;2-[2-(3-methoxyphenyl)ethyl]phenol;bis((2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]oxirane);bis(N-methylmethanamine);bis(oxolane-2,5-dione) is sourced from PubChem (CID 159161719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).