bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium

C81H83Br3O8P2+2 — CID 158033875

IUPACbromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium
SMILESBrCBr.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC[P+](c2ccc(C)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c1.COc1ccc([P+](CBr)(c2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C40H39O4P.C22H23BrO2P.C18H18O2.CH2Br2/c1-6-8-30-12-24-39(41)37(26-30)38-27-31(9-7-2)13-25-40(38)44-28-45(34-18-10-29(3)11-19-34,35-20-14-32(42-4)15-21-35)36-22-16-33(43-5)17-23-36;1-17-4-10-20(11-5-17)26(16-23,21-12-6-18(24-2)7-13-21)22-14-8-19(25-3)9-15-22;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;2-1-3/h6-7,10-27H,1-2,8-9,28H2,3-5H3;4-15H,16H2,1-3H3;3-4,7-12,19-20H,1-2,5-6H2;1H2/q;+1;;/p+1
InChIKeyYGOPGQWKIMYYFP-UHFFFAOYSA-O
MW1486.21 g/mol
LogP18.79
Rot. Bonds24

About bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium

bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium (PubChem CID 158033875) has the molecular formula C81H83Br3O8P2+2 and a molecular weight of 1486.21 g/mol. Its IUPAC name is bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium.

Molecular Properties

Compound Namebromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium
PubChem CID158033875
Molecular FormulaC81H83Br3O8P2+2
Molecular Weight1486.21 g/mol
Exact Mass1482.31
IUPAC Namebromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium
SMILESBrCBr.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC[P+](c2ccc(C)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c1.COc1ccc([P+](CBr)(c2ccc(C)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C40H39O4P.C22H23BrO2P.C18H18O2.CH2Br2/c1-6-8-30-12-24-39(41)37(26-30)38-27-31(9-7-2)13-25-40(38)44-28-45(34-18-10-29(3)11-19-34,35-20-14-32(42-4)15-21-35)36-22-16-33(43-5)17-23-36;1-17-4-10-20(11-5-17)26(16-23,21-12-6-18(24-2)7-13-21)22-14-8-19(25-3)9-15-22;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;2-1-3/h6-7,10-27H,1-2,8-9,28H2,3-5H3;4-15H,16H2,1-3H3;3-4,7-12,19-20H,1-2,5-6H2;1H2/q;+1;;/p+1
InChIKeyYGOPGQWKIMYYFP-UHFFFAOYSA-O
XLogP18.79
TPSA106.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001486.21
LogP ≤ 518.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium?
The IUPAC name of bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium (CID 158033875) is bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium.
What is the SMILES notation for bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium?
The canonical SMILES for bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium is BrCBr.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC[P+](c2ccc(C)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c1.COc1ccc([P+](CBr)(c2ccc(C)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium?
The InChIKey is YGOPGQWKIMYYFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C40H39O4P.C22H23BrO2P.C18H18O2.CH2Br2/c1-6-8-30-12-24-39(41)37(26-30)38-27-31(9-7-2)13-25-40(38)44-28-45(34-18-10-29(3)11-19-34,35-20-14-32(42-4)15-21-35)36-22-16-33(43-5)17-23-36;1-17-4-10-20(11-5-17)26(16-23,21-12-6-18(24-2)7-13-21)22-14-8-19(25-3)9-15-22;1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20;2-1-3/h6-7,10-27H,1-2,8-9,28H2,3-5H3;4-15H,16H2,1-3H3;3-4,7-12,19-20H,1-2,5-6H2;1H2/q;+1;;/p+1.
What are the key properties of bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium?
bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium has a molecular weight of 1486.21 g/mol, XLogP of 18.79, 24 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium;dibromomethane;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol;[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl-bis(4-methoxyphenyl)-(4-methylphenyl)phosphanium is sourced from PubChem (CID 158033875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).