sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane

C38H53Br2ClFNaO10 — CID 159724319

About sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane

sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane (PubChem CID 159724319) has the molecular formula C38H53Br2ClFNaO10 and a molecular weight of 909.09 g/mol. Its IUPAC name is sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane.

Molecular Properties

• Compound Name: sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane
• PubChem CID: 159724319
• Molecular Formula: C38H53Br2ClFNaO10
• Molecular Weight: 909.09 g/mol
• Exact Mass: 906.17
• IUPAC Name: sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane
• SMILES: C.CCOCCl.CCOCOCc1cc(Oc2ccc(OC)c(OC)c2)ccc1Br.COc1ccc(Oc2ccc(Br)c(CO)c2)cc1OC.[2H]CF.[H-].[H][2H].[Na+]
• InChI: InChI=1S/C18H21BrO5.C15H15BrO4.C3H7ClO.CH3F.CH4.Na.H2.H/c1-4-22-12-23-11-13-9-14(5-7-16(13)19)24-15-6-8-17(20-2)18(10-15)21-3;1-18-14-6-4-12(8-15(14)19-2)20-11-3-5-13(16)10(7-11)9-17;1-2-5-3-4;1-2;;;;/h5-10H,4,11-12H2,1-3H3;3-8,17H,9H2,1-2H3;2-3H2,1H3;1H3;1H4;;1H;/q;;;;;+1;;-1/i;;;1D;;;1+1
• InChIKey: OBAGUQNUUSRGML-CUHBVMOESA-N
• XLogP: 8.32
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.09
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane?

The IUPAC name of sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane (CID 159724319) is sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane.

What is the SMILES notation for sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane?

The canonical SMILES for sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane is C.CCOCCl.CCOCOCc1cc(Oc2ccc(OC)c(OC)c2)ccc1Br.COc1ccc(Oc2ccc(Br)c(CO)c2)cc1OC.[2H]CF.[H-].[H][2H].[Na+].

What is the InChIKey of sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane?

The InChIKey is OBAGUQNUUSRGML-CUHBVMOESA-N. The full InChI is InChI=1S/C18H21BrO5.C15H15BrO4.C3H7ClO.CH3F.CH4.Na.H2.H/c1-4-22-12-23-11-13-9-14(5-7-16(13)19)24-15-6-8-17(20-2)18(10-15)21-3;1-18-14-6-4-12(8-15(14)19-2)20-11-3-5-13(16)10(7-11)9-17;1-2-5-3-4;1-2;;;;/h5-10H,4,11-12H2,1-3H3;3-8,17H,9H2,1-2H3;2-3H2,1H3;1H3;1H4;;1H;/q;;;;;+1;;-1/i;;;1D;;;1+1;.

What are the key properties of sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane?

sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane has a molecular weight of 909.09 g/mol, XLogP of 8.32, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-bromo-4-(3,4-dimethoxyphenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(3,4-dimethoxyphenoxy)phenyl]methanol;chloromethoxyethane;deuterio(fluoro)methane;deuterium monohydride;hydride;methane is sourced from PubChem (CID 159724319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).