2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol

C64H82O6 — CID 23156036

IUPAC2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol
SMILESCCCc1ccc(O)c(C(C)c2cc(CCC)cc(C(C)c3cc(CCC)cc(C(C)c4cc(CCC)cc(C(C)c5cc(CCC)cc(C(C)c6cc(CCC)ccc6O)c5O)c4O)c3O)c2O)c1
InChIInChI=1S/C64H82O6/c1-12-18-43-24-26-59(65)49(28-43)38(7)51-30-45(20-14-3)32-53(61(51)67)40(9)55-34-47(22-16-5)36-57(63(55)69)42(11)58-37-48(23-17-6)35-56(64(58)70)41(10)54-33-46(21-15-4)31-52(62(54)68)39(8)50-29-44(19-13-2)25-27-60(50)66/h24-42,65-70H,12-23H2,1-11H3
InChIKeyKPMOEFBEOCYCSA-UHFFFAOYSA-N
MW947.35 g/mol
LogP16.39
Rot. Bonds22

About 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol

2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol (PubChem CID 23156036) has the molecular formula C64H82O6 and a molecular weight of 947.35 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol
PubChem CID23156036
Molecular FormulaC64H82O6
Molecular Weight947.35 g/mol
Exact Mass946.61
IUPAC Name2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol
SMILESCCCc1ccc(O)c(C(C)c2cc(CCC)cc(C(C)c3cc(CCC)cc(C(C)c4cc(CCC)cc(C(C)c5cc(CCC)cc(C(C)c6cc(CCC)ccc6O)c5O)c4O)c3O)c2O)c1
InChIInChI=1S/C64H82O6/c1-12-18-43-24-26-59(65)49(28-43)38(7)51-30-45(20-14-3)32-53(61(51)67)40(9)55-34-47(22-16-5)36-57(63(55)69)42(11)58-37-48(23-17-6)35-56(64(58)70)41(10)54-33-46(21-15-4)31-52(62(54)68)39(8)50-29-44(19-13-2)25-27-60(50)66/h24-42,65-70H,12-23H2,1-11H3
InChIKeyKPMOEFBEOCYCSA-UHFFFAOYSA-N
XLogP16.39
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.35
LogP ≤ 516.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol?
The IUPAC name of 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol (CID 23156036) is 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol.
What is the SMILES notation for 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol?
The canonical SMILES for 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol is CCCc1ccc(O)c(C(C)c2cc(CCC)cc(C(C)c3cc(CCC)cc(C(C)c4cc(CCC)cc(C(C)c5cc(CCC)cc(C(C)c6cc(CCC)ccc6O)c5O)c4O)c3O)c2O)c1.
What is the InChIKey of 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol?
The InChIKey is KPMOEFBEOCYCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H82O6/c1-12-18-43-24-26-59(65)49(28-43)38(7)51-30-45(20-14-3)32-53(61(51)67)40(9)55-34-47(22-16-5)36-57(63(55)69)42(11)58-37-48(23-17-6)35-56(64(58)70)41(10)54-33-46(21-15-4)31-52(62(54)68)39(8)50-29-44(19-13-2)25-27-60(50)66/h24-42,65-70H,12-23H2,1-11H3.
What are the key properties of 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol?
2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol has a molecular weight of 947.35 g/mol, XLogP of 16.39, 22 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol is sourced from PubChem (CID 23156036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).