4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol

C88H88O12 — CID 160589266

IUPAC4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1cc(C(C)(c2ccc(O)c(C)c2)c2ccc(O)c(C)c2)ccc1O.Cc1cc(C(C)(c2ccccc2O)c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H30O3.C23H24O3.C20H18O3.C19H16O3/c1-14-12-21(16(3)18(5)24(14)28)26(7,20-10-8-9-11-23(20)27)22-13-15(2)25(29)19(6)17(22)4;1-14-11-17(5-8-20(14)24)23(4,18-6-9-21(25)15(2)12-18)19-7-10-22(26)16(3)13-19;1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h8-13,27-29H,1-7H3;5-13,24-26H,1-4H3;2-13,21-23H,1H3;1-12,19-22H
InChIKeyRCUGVQUWFNWREF-UHFFFAOYSA-N
MW1337.66 g/mol
LogP19.23
Rot. Bonds12

About 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol

4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol (PubChem CID 160589266) has the molecular formula C88H88O12 and a molecular weight of 1337.66 g/mol. Its IUPAC name is 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol
PubChem CID160589266
Molecular FormulaC88H88O12
Molecular Weight1337.66 g/mol
Exact Mass1336.63
IUPAC Name4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1cc(C(C)(c2ccc(O)c(C)c2)c2ccc(O)c(C)c2)ccc1O.Cc1cc(C(C)(c2ccccc2O)c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C26H30O3.C23H24O3.C20H18O3.C19H16O3/c1-14-12-21(16(3)18(5)24(14)28)26(7,20-10-8-9-11-23(20)27)22-13-15(2)25(29)19(6)17(22)4;1-14-11-17(5-8-20(14)24)23(4,18-6-9-21(25)15(2)12-18)19-7-10-22(26)16(3)13-19;1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h8-13,27-29H,1-7H3;5-13,24-26H,1-4H3;2-13,21-23H,1H3;1-12,19-22H
InChIKeyRCUGVQUWFNWREF-UHFFFAOYSA-N
XLogP19.23
TPSA242.76 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001337.66
LogP ≤ 519.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol?
The IUPAC name of 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol (CID 160589266) is 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol?
The canonical SMILES for 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol is CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.Cc1cc(C(C)(c2ccc(O)c(C)c2)c2ccc(O)c(C)c2)ccc1O.Cc1cc(C(C)(c2ccccc2O)c2cc(C)c(O)c(C)c2C)c(C)c(C)c1O.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol?
The InChIKey is RCUGVQUWFNWREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3.C23H24O3.C20H18O3.C19H16O3/c1-14-12-21(16(3)18(5)24(14)28)26(7,20-10-8-9-11-23(20)27)22-13-15(2)25(29)19(6)17(22)4;1-14-11-17(5-8-20(14)24)23(4,18-6-9-21(25)15(2)12-18)19-7-10-22(26)16(3)13-19;1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h8-13,27-29H,1-7H3;5-13,24-26H,1-4H3;2-13,21-23H,1H3;1-12,19-22H.
What are the key properties of 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol?
4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol has a molecular weight of 1337.66 g/mol, XLogP of 19.23, 12 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenol;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol;4-[1-(2-hydroxyphenyl)-1-(4-hydroxy-2,3,5-trimethylphenyl)ethyl]-2,3,6-trimethylphenol is sourced from PubChem (CID 160589266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).