carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol

C46H44Br4Cl2O6 — CID 170852875

IUPACcarbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccccc1)c1ccc(O)cc1.O=C(Cl)Cl
InChIInChI=1S/C15H12Br4O2.C15H16O2.C15H16O.CCl2O/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;2-1(3)4/h3-6,20-21H,1-2H3;3-10,16-17H,1-2H3;3-11,16H,1-2H3;
InChIKeyFSVWCTKZFRITBK-UHFFFAOYSA-N
MW1083.37 g/mol
LogP15.20
Rot. Bonds6

About carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol

carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol (PubChem CID 170852875) has the molecular formula C46H44Br4Cl2O6 and a molecular weight of 1083.37 g/mol. Its IUPAC name is carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Namecarbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol
PubChem CID170852875
Molecular FormulaC46H44Br4Cl2O6
Molecular Weight1083.37 g/mol
Exact Mass1077.92
IUPAC Namecarbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccccc1)c1ccc(O)cc1.O=C(Cl)Cl
InChIInChI=1S/C15H12Br4O2.C15H16O2.C15H16O.CCl2O/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;2-1(3)4/h3-6,20-21H,1-2H3;3-10,16-17H,1-2H3;3-11,16H,1-2H3;
InChIKeyFSVWCTKZFRITBK-UHFFFAOYSA-N
XLogP15.20
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.37
LogP ≤ 515.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol?
The IUPAC name of carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol (CID 170852875) is carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol is CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(C)(c1ccccc1)c1ccc(O)cc1.O=C(Cl)Cl.
What is the InChIKey of carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol?
The InChIKey is FSVWCTKZFRITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br4O2.C15H16O2.C15H16O.CCl2O/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;2-1(3)4/h3-6,20-21H,1-2H3;3-10,16-17H,1-2H3;3-11,16H,1-2H3;.
What are the key properties of carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol?
carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol has a molecular weight of 1083.37 g/mol, XLogP of 15.20, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonyl dichloride;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 170852875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).