1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol

C53H90BrClO16P4Si2 — CID 157121231

IUPAC1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(O)cc1.CCOP(=O)(Cl)OCC.CCOP(C)(=O)Oc1ccc(CBr)cc1.CCOP(C)(=O)Oc1ccc(CO)cc1.CCOP(C)(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H29O4PSi.C13H22O2Si.C10H14BrO3P.C10H15O4P.C4H10ClO3P/c1-8-18-21(5,17)20-15-11-9-14(10-12-15)13-19-22(6,7)16(2,3)4;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;2*1-3-13-15(2,12)14-10-6-4-9(8-11)5-7-10;1-3-7-9(5,6)8-4-2/h9-12H,8,13H2,1-7H3;6-9,14H,10H2,1-5H3;4-7H,3,8H2,1-2H3;4-7,11H,3,8H2,1-2H3;3-4H2,1-2H3
InChIKeyAHZOLPHHNSQVKP-UHFFFAOYSA-N
MW1278.71 g/mol
LogP18.00
Rot. Bonds24

About 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol

1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol (PubChem CID 157121231) has the molecular formula C53H90BrClO16P4Si2 and a molecular weight of 1278.71 g/mol. Its IUPAC name is 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol.

Molecular Properties

Compound Name1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol
PubChem CID157121231
Molecular FormulaC53H90BrClO16P4Si2
Molecular Weight1278.71 g/mol
Exact Mass1276.36
IUPAC Name1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(O)cc1.CCOP(=O)(Cl)OCC.CCOP(C)(=O)Oc1ccc(CBr)cc1.CCOP(C)(=O)Oc1ccc(CO)cc1.CCOP(C)(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H29O4PSi.C13H22O2Si.C10H14BrO3P.C10H15O4P.C4H10ClO3P/c1-8-18-21(5,17)20-15-11-9-14(10-12-15)13-19-22(6,7)16(2,3)4;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;2*1-3-13-15(2,12)14-10-6-4-9(8-11)5-7-10;1-3-7-9(5,6)8-4-2/h9-12H,8,13H2,1-7H3;6-9,14H,10H2,1-5H3;4-7H,3,8H2,1-2H3;4-7,11H,3,8H2,1-2H3;3-4H2,1-2H3
InChIKeyAHZOLPHHNSQVKP-UHFFFAOYSA-N
XLogP18.00
TPSA201.04 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.71
LogP ≤ 518.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol?
The IUPAC name of 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol (CID 157121231) is 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol.
What is the SMILES notation for 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol?
The canonical SMILES for 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol is CC(C)(C)[Si](C)(C)OCc1ccc(O)cc1.CCOP(=O)(Cl)OCC.CCOP(C)(=O)Oc1ccc(CBr)cc1.CCOP(C)(=O)Oc1ccc(CO)cc1.CCOP(C)(=O)Oc1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol?
The InChIKey is AHZOLPHHNSQVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29O4PSi.C13H22O2Si.C10H14BrO3P.C10H15O4P.C4H10ClO3P/c1-8-18-21(5,17)20-15-11-9-14(10-12-15)13-19-22(6,7)16(2,3)4;1-13(2,3)16(4,5)15-10-11-6-8-12(14)9-7-11;2*1-3-13-15(2,12)14-10-6-4-9(8-11)5-7-10;1-3-7-9(5,6)8-4-2/h9-12H,8,13H2,1-7H3;6-9,14H,10H2,1-5H3;4-7H,3,8H2,1-2H3;4-7,11H,3,8H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol?
1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol has a molecular weight of 1278.71 g/mol, XLogP of 18.00, 24 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-[ethoxy(methyl)phosphoryl]oxybenzene;4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol;tert-butyl-[[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methoxy]-dimethylsilane;1-[chloro(ethoxy)phosphoryl]oxyethane;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methanol is sourced from PubChem (CID 157121231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).