4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol

C48H50Cl4O4 — CID 165388701

IUPAC4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol
SMILESCC(C)(c1cccc(C(C)(C)C2CCC(c3ccc(O)c(Cl)c3)(c3ccc(O)c(Cl)c3)CC2)c1)C1CCC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C48H50Cl4O4/c1-45(2,29-16-20-47(21-17-29,33-8-12-41(53)37(49)25-33)34-9-13-42(54)38(50)26-34)31-6-5-7-32(24-31)46(3,4)30-18-22-48(23-19-30,35-10-14-43(55)39(51)27-35)36-11-15-44(56)40(52)28-36/h5-15,24-30,53-56H,16-23H2,1-4H3
InChIKeyLGFCSKNHRBELGC-UHFFFAOYSA-N
MW832.74 g/mol
LogP14.03
Rot. Bonds8

About 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol

4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol (PubChem CID 165388701) has the molecular formula C48H50Cl4O4 and a molecular weight of 832.74 g/mol. Its IUPAC name is 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol
PubChem CID165388701
Molecular FormulaC48H50Cl4O4
Molecular Weight832.74 g/mol
Exact Mass830.25
IUPAC Name4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol
SMILESCC(C)(c1cccc(C(C)(C)C2CCC(c3ccc(O)c(Cl)c3)(c3ccc(O)c(Cl)c3)CC2)c1)C1CCC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C48H50Cl4O4/c1-45(2,29-16-20-47(21-17-29,33-8-12-41(53)37(49)25-33)34-9-13-42(54)38(50)26-34)31-6-5-7-32(24-31)46(3,4)30-18-22-48(23-19-30,35-10-14-43(55)39(51)27-35)36-11-15-44(56)40(52)28-36/h5-15,24-30,53-56H,16-23H2,1-4H3
InChIKeyLGFCSKNHRBELGC-UHFFFAOYSA-N
XLogP14.03
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.74
LogP ≤ 514.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol?
The IUPAC name of 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol (CID 165388701) is 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol.
What is the SMILES notation for 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol?
The canonical SMILES for 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol is CC(C)(c1cccc(C(C)(C)C2CCC(c3ccc(O)c(Cl)c3)(c3ccc(O)c(Cl)c3)CC2)c1)C1CCC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol?
The InChIKey is LGFCSKNHRBELGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50Cl4O4/c1-45(2,29-16-20-47(21-17-29,33-8-12-41(53)37(49)25-33)34-9-13-42(54)38(50)26-34)31-6-5-7-32(24-31)46(3,4)30-18-22-48(23-19-30,35-10-14-43(55)39(51)27-35)36-11-15-44(56)40(52)28-36/h5-15,24-30,53-56H,16-23H2,1-4H3.
What are the key properties of 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol?
4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol has a molecular weight of 832.74 g/mol, XLogP of 14.03, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3-[2-[4,4-bis(3-chloro-4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(3-chloro-4-hydroxyphenyl)cyclohexyl]-2-chlorophenol is sourced from PubChem (CID 165388701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).