4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol

C58H76Br2O12Si4 — CID 161464479

IUPAC4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol
SMILESCC(=O)c1ccc(Oc2cc([Si](C)(C)C)c([Si](C)(C)C)cc2C)o1.COC(=O)c1ccc(Br)o1.COC(=O)c1ccc(Oc2ccc([Si](C)(C)C)cc2C)o1.Cc1cc(Br)ccc1O.Cc1cc([Si](C)(C)C)ccc1O
InChIInChI=1S/C19H28O3Si2.C16H20O4Si.C10H16OSi.C7H7BrO.C6H5BrO3/c1-13-11-17(23(3,4)5)18(24(6,7)8)12-16(13)22-19-10-9-15(21-19)14(2)20;1-11-10-12(21(3,4)5)6-7-13(11)19-15-9-8-14(20-15)16(17)18-2;1-8-7-9(12(2,3)4)5-6-10(8)11;1-5-4-6(8)2-3-7(5)9;1-9-6(8)4-2-3-5(7)10-4/h9-12H,1-8H3;6-10H,1-5H3;5-7,11H,1-4H3;2-4,9H,1H3;2-3H,1H3
InChIKeyWCFZBZZBNQJCAU-UHFFFAOYSA-N
MW1237.39 g/mol
LogP14.92
Rot. Bonds11

About 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol

4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol (PubChem CID 161464479) has the molecular formula C58H76Br2O12Si4 and a molecular weight of 1237.39 g/mol. Its IUPAC name is 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol.

Molecular Properties

Compound Name4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol
PubChem CID161464479
Molecular FormulaC58H76Br2O12Si4
Molecular Weight1237.39 g/mol
Exact Mass1234.28
IUPAC Name4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol
SMILESCC(=O)c1ccc(Oc2cc([Si](C)(C)C)c([Si](C)(C)C)cc2C)o1.COC(=O)c1ccc(Br)o1.COC(=O)c1ccc(Oc2ccc([Si](C)(C)C)cc2C)o1.Cc1cc(Br)ccc1O.Cc1cc([Si](C)(C)C)ccc1O
InChIInChI=1S/C19H28O3Si2.C16H20O4Si.C10H16OSi.C7H7BrO.C6H5BrO3/c1-13-11-17(23(3,4)5)18(24(6,7)8)12-16(13)22-19-10-9-15(21-19)14(2)20;1-11-10-12(21(3,4)5)6-7-13(11)19-15-9-8-14(20-15)16(17)18-2;1-8-7-9(12(2,3)4)5-6-10(8)11;1-5-4-6(8)2-3-7(5)9;1-9-6(8)4-2-3-5(7)10-4/h9-12H,1-8H3;6-10H,1-5H3;5-7,11H,1-4H3;2-4,9H,1H3;2-3H,1H3
InChIKeyWCFZBZZBNQJCAU-UHFFFAOYSA-N
XLogP14.92
TPSA168.01 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001237.39
LogP ≤ 514.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol with MolForge

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Related Compounds

methyl 5-[2-methyl-5-(trimethyl-λ4-sulfanyl)phenoxy]furan-2-carboxylate
CID 143243304
methyl 5-[1-(4-bromo-2-methylphenoxy)ethyl]furan-2-carboxylate
CID 79084765
(4-chloro-2-methylphenyl) 5-bromofuran-2-carboxylate
CID 1407236
(4-bromo-2-fluorophenyl) 5-bromofuran-2-carboxylate
CID 16551440
5-(2-methoxy-5-trimethylsilylphenoxy)-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 11236781
methyl 5-(2,4-dibromo-5-tert-butylphenoxy)furan-2-carboxylate
CID 142192083
(4-bromo-2-tert-butylphenyl) 5-bromofuran-2-carboxylate
CID 17074460
4-O-(2-acetyl-4-trimethylsilylphenyl) 1-O-methyl benzene-1,4-dicarboxylate
CID 15037561
5-chloro-2-methoxyphenol;methyl 5-(5-chloro-2-methoxyphenoxy)furan-2-carboxylate;methyl 5-nitrofuran-2-carboxylate
CID 160629050
methyl 5-amino-2-(4-bromo-2-methylphenoxy)benzoate
CID 63217059
methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
CID 114408949
2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid
CID 10563400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol?
The IUPAC name of 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol (CID 161464479) is 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol.
What is the SMILES notation for 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol?
The canonical SMILES for 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol is CC(=O)c1ccc(Oc2cc([Si](C)(C)C)c([Si](C)(C)C)cc2C)o1.COC(=O)c1ccc(Br)o1.COC(=O)c1ccc(Oc2ccc([Si](C)(C)C)cc2C)o1.Cc1cc(Br)ccc1O.Cc1cc([Si](C)(C)C)ccc1O.
What is the InChIKey of 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol?
The InChIKey is WCFZBZZBNQJCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3Si2.C16H20O4Si.C10H16OSi.C7H7BrO.C6H5BrO3/c1-13-11-17(23(3,4)5)18(24(6,7)8)12-16(13)22-19-10-9-15(21-19)14(2)20;1-11-10-12(21(3,4)5)6-7-13(11)19-15-9-8-14(20-15)16(17)18-2;1-8-7-9(12(2,3)4)5-6-10(8)11;1-5-4-6(8)2-3-7(5)9;1-9-6(8)4-2-3-5(7)10-4/h9-12H,1-8H3;6-10H,1-5H3;5-7,11H,1-4H3;2-4,9H,1H3;2-3H,1H3.
What are the key properties of 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol?
4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol has a molecular weight of 1237.39 g/mol, XLogP of 14.92, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylphenol;1-[5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]furan-2-yl]ethanone;methyl 5-bromofuran-2-carboxylate;methyl 5-(2-methyl-4-trimethylsilylphenoxy)furan-2-carboxylate;2-methyl-4-trimethylsilylphenol is sourced from PubChem (CID 161464479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).