2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

C157H180Br4F4O18 — CID 173430863

IUPAC2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCC(C)(c1cc(F)c(O)c(F)c1)c1cc(F)c(O)c(F)c1.CCCC(CC)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1.CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1.CCCCCCC(C)(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1.Cc1cc(C(C)c2ccc(O)c(C)c2)ccc1O.Cc1cc(C(C)c2ccc(O)c(C)c2)ccc1O.Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C24H34O2.C20H26O2.C19H24O2.C18H18Br4O2.C16H14F4O2.2C16H18O2.C15H16O2.C13H12O2/c1-5-8-9-10-15-24(4,20-11-13-22(25)18(6-2)16-20)21-12-14-23(26)19(7-3)17-21;1-5-11-20(6-2,16-7-9-18(21)14(3)12-16)17-8-10-19(22)15(4)13-17;1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16;1-3-5-18(4-2,10-6-12(19)16(23)13(20)7-10)11-8-14(21)17(24)15(22)9-11;1-3-16(2,8-4-10(17)14(21)11(18)5-8)9-6-12(19)15(22)13(20)7-9;2*1-10-8-13(4-6-15(10)17)12(3)14-5-7-16(18)11(2)9-14;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h11-14,16-17,25-26H,5-10,15H2,1-4H3;7-10,12-13,21-22H,5-6,11H2,1-4H3;5-12,20-21H,3-4,13-14H2,1-2H3;6-9,23-24H,3-5H2,1-2H3;4-7,21-22H,3H2,1-2H3;2*4-9,12,17-18H,1-3H3;3-10,16-17H,1-2H3;1-8,14-15H,9H2
InChIKeyGXXROXAZJXQUJG-UHFFFAOYSA-N
MW2750.76 g/mol
LogP42.55
Rot. Bonds36

About 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (PubChem CID 173430863) has the molecular formula C157H180Br4F4O18 and a molecular weight of 2750.76 g/mol. Its IUPAC name is 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
PubChem CID173430863
Molecular FormulaC157H180Br4F4O18
Molecular Weight2750.76 g/mol
Exact Mass2744.98
IUPAC Name2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCC(C)(c1cc(F)c(O)c(F)c1)c1cc(F)c(O)c(F)c1.CCCC(CC)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1.CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1.CCCCCCC(C)(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1.Cc1cc(C(C)c2ccc(O)c(C)c2)ccc1O.Cc1cc(C(C)c2ccc(O)c(C)c2)ccc1O.Oc1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C24H34O2.C20H26O2.C19H24O2.C18H18Br4O2.C16H14F4O2.2C16H18O2.C15H16O2.C13H12O2/c1-5-8-9-10-15-24(4,20-11-13-22(25)18(6-2)16-20)21-12-14-23(26)19(7-3)17-21;1-5-11-20(6-2,16-7-9-18(21)14(3)12-16)17-8-10-19(22)15(4)13-17;1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16;1-3-5-18(4-2,10-6-12(19)16(23)13(20)7-10)11-8-14(21)17(24)15(22)9-11;1-3-16(2,8-4-10(17)14(21)11(18)5-8)9-6-12(19)15(22)13(20)7-9;2*1-10-8-13(4-6-15(10)17)12(3)14-5-7-16(18)11(2)9-14;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h11-14,16-17,25-26H,5-10,15H2,1-4H3;7-10,12-13,21-22H,5-6,11H2,1-4H3;5-12,20-21H,3-4,13-14H2,1-2H3;6-9,23-24H,3-5H2,1-2H3;4-7,21-22H,3H2,1-2H3;2*4-9,12,17-18H,1-3H3;3-10,16-17H,1-2H3;1-8,14-15H,9H2
InChIKeyGXXROXAZJXQUJG-UHFFFAOYSA-N
XLogP42.55
TPSA364.14 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002750.76
LogP ≤ 542.55
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The IUPAC name of 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol (CID 173430863) is 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CCC(C)(c1cc(F)c(O)c(F)c1)c1cc(F)c(O)c(F)c1.CCCC(CC)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1.CCCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1.CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1.CCCCCCC(C)(c1ccc(O)c(CC)c1)c1ccc(O)c(CC)c1.Cc1cc(C(C)c2ccc(O)c(C)c2)ccc1O.Cc1cc(C(C)c2ccc(O)c(C)c2)ccc1O.Oc1ccc(Cc2ccc(O)cc2)cc1.
What is the InChIKey of 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
The InChIKey is GXXROXAZJXQUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2.C20H26O2.C19H24O2.C18H18Br4O2.C16H14F4O2.2C16H18O2.C15H16O2.C13H12O2/c1-5-8-9-10-15-24(4,20-11-13-22(25)18(6-2)16-20)21-12-14-23(26)19(7-3)17-21;1-5-11-20(6-2,16-7-9-18(21)14(3)12-16)17-8-10-19(22)15(4)13-17;1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16;1-3-5-18(4-2,10-6-12(19)16(23)13(20)7-10)11-8-14(21)17(24)15(22)9-11;1-3-16(2,8-4-10(17)14(21)11(18)5-8)9-6-12(19)15(22)13(20)7-9;2*1-10-8-13(4-6-15(10)17)12(3)14-5-7-16(18)11(2)9-14;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h11-14,16-17,25-26H,5-10,15H2,1-4H3;7-10,12-13,21-22H,5-6,11H2,1-4H3;5-12,20-21H,3-4,13-14H2,1-2H3;6-9,23-24H,3-5H2,1-2H3;4-7,21-22H,3H2,1-2H3;2*4-9,12,17-18H,1-3H3;3-10,16-17H,1-2H3;1-8,14-15H,9H2.
What are the key properties of 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol?
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol has a molecular weight of 2750.76 g/mol, XLogP of 42.55, 36 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)hexan-3-yl]phenol;4-[2-(3,5-difluoro-4-hydroxyphenyl)butan-2-yl]-2,6-difluorophenol;2-ethyl-4-[2-(3-ethyl-4-hydroxyphenyl)octan-2-yl]phenol;bis(4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol);4-[3-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol;4-[4-(4-hydroxyphenyl)heptan-4-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 173430863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).