carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol

C46H52Cl2O5 — CID 170852882

About carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol

carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol (PubChem CID 170852882) has the molecular formula C46H52Cl2O5 and a molecular weight of 755.82 g/mol. Its IUPAC name is carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol.

Molecular Properties

• Compound Name: carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
• PubChem CID: 170852882
• Molecular Formula: C46H52Cl2O5
• Molecular Weight: 755.82 g/mol
• Exact Mass: 754.32
• IUPAC Name: carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
• SMILES: CC(C)(c1ccc(O)cc1)c1cccc(C(C)(C)c2ccc(O)cc2)c1.CC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1.O=C(Cl)Cl
• InChI: InChI=1S/C24H26O2.C21H26O2.CCl2O/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18;1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17;2-1(3)4/h5-16,25-26H,1-4H3;4-11,15,22-23H,12-14H2,1-3H3
• InChIKey: JRPXINUTXFXFPI-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 97.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.82
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol?

The IUPAC name of carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol (CID 170852882) is carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol.

What is the SMILES notation for carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol?

The canonical SMILES for carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol is CC(C)(c1ccc(O)cc1)c1cccc(C(C)(C)c2ccc(O)cc2)c1.CC1CC(C)(C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1.O=C(Cl)Cl.

What is the InChIKey of carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol?

The InChIKey is JRPXINUTXFXFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2.C21H26O2.CCl2O/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18;1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17;2-1(3)4/h5-16,25-26H,1-4H3;4-11,15,22-23H,12-14H2,1-3H3;.

What are the key properties of carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol?

carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol has a molecular weight of 755.82 g/mol, XLogP of 12.56, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol is sourced from PubChem (CID 170852882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).