4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol

C113H116O19 — CID 157135640

IUPAC4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol
SMILESCc1c(O)c(Cc2ccc(O)cc2)cc(Cc2ccc(O)cc2)c1O.Cc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)c(O)c(C)c2O)cc(C)c1O.Cc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)c(O)cc2O)cc(C)c1O.Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1.Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c(O)cc2O)cc1
InChIInChI=1S/C25H28O4.C24H26O4.C23H24O3.C21H20O4.C20H18O4/c1-13-6-18(7-14(2)22(13)26)10-20-12-21(25(29)17(5)24(20)28)11-19-8-15(3)23(27)16(4)9-19;1-13-5-17(6-14(2)23(13)27)9-19-11-20(22(26)12-21(19)25)10-18-7-15(3)24(28)16(4)8-18;1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25;1-13-20(24)16(10-14-2-6-18(22)7-3-14)12-17(21(13)25)11-15-4-8-19(23)9-5-15;21-17-5-1-13(2-6-17)9-15-11-16(20(24)12-19(15)23)10-14-3-7-18(22)8-4-14/h6-9,12,26-29H,10-11H2,1-5H3;5-8,11-12,25-28H,9-10H2,1-4H3;4-11,24-26H,12-13H2,1-3H3;2-9,12,22-25H,10-11H2,1H3;1-8,11-12,21-24H,9-10H2
InChIKeyAJOWRVSFECUVKV-UHFFFAOYSA-N
MW1778.15 g/mol
LogP22.76
Rot. Bonds20

About 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol

4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol (PubChem CID 157135640) has the molecular formula C113H116O19 and a molecular weight of 1778.15 g/mol. Its IUPAC name is 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol
PubChem CID157135640
Molecular FormulaC113H116O19
Molecular Weight1778.15 g/mol
Exact Mass1776.81
IUPAC Name4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol
SMILESCc1c(O)c(Cc2ccc(O)cc2)cc(Cc2ccc(O)cc2)c1O.Cc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)c(O)c(C)c2O)cc(C)c1O.Cc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)c(O)cc2O)cc(C)c1O.Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1.Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c(O)cc2O)cc1
InChIInChI=1S/C25H28O4.C24H26O4.C23H24O3.C21H20O4.C20H18O4/c1-13-6-18(7-14(2)22(13)26)10-20-12-21(25(29)17(5)24(20)28)11-19-8-15(3)23(27)16(4)9-19;1-13-5-17(6-14(2)23(13)27)9-19-11-20(22(26)12-21(19)25)10-18-7-15(3)24(28)16(4)8-18;1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25;1-13-20(24)16(10-14-2-6-18(22)7-3-14)12-17(21(13)25)11-15-4-8-19(23)9-5-15;21-17-5-1-13(2-6-17)9-15-11-16(20(24)12-19(15)23)10-14-3-7-18(22)8-4-14/h6-9,12,26-29H,10-11H2,1-5H3;5-8,11-12,25-28H,9-10H2,1-4H3;4-11,24-26H,12-13H2,1-3H3;2-9,12,22-25H,10-11H2,1H3;1-8,11-12,21-24H,9-10H2
InChIKeyAJOWRVSFECUVKV-UHFFFAOYSA-N
XLogP22.76
TPSA384.37 Ų
H-Bond Donors19
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001778.15
LogP ≤ 522.76
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1019

Analyze 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol with MolForge

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Related Compounds

2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]methyl]-6-[[5-[(4-hydroxy-3-methylphenyl)methyl]-2,3-dimethylphenyl]methyl]-4-methylphenol;methanol
CID 144564644
4-methyl-2-[(3,4,5-trimethylphenyl)methyl]phenol
CID 90160310
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 22925753
2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 158735527
2,6-bis[(3-chloro-4-hydroxyphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-3,6-dimethylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-3,5-dimethylphenol;4,6-bis[(4-hydroxy-3-methylphenyl)methyl]-2-methylbenzene-1,3-diol;2,4-bis[(4-hydroxy-3-methylphenyl)methyl]-6-methylphenol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol;2,6-bis[(4-hydroxyphenyl)methyl]-4-methylphenol;2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6-[[2-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol;2-[2-hydroxy-3-[(4-hydroxyphenyl)methyl]-5-methylphenyl]sulfanyl-6-[(4-hydroxyphenyl)methyl]-4-methylphenol
CID 161131582
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
4-[[2-hydroxy-3-[[4-hydroxy-3-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[[4-hydroxy-3-[(4-hydroxyphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 59689291
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 21282731

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol?
The IUPAC name of 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol (CID 157135640) is 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol?
The canonical SMILES for 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol is Cc1c(O)c(Cc2ccc(O)cc2)cc(Cc2ccc(O)cc2)c1O.Cc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)c(O)c(C)c2O)cc(C)c1O.Cc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)c(O)cc2O)cc(C)c1O.Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1.Oc1ccc(Cc2cc(Cc3ccc(O)cc3)c(O)cc2O)cc1.
What is the InChIKey of 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol?
The InChIKey is AJOWRVSFECUVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4.C24H26O4.C23H24O3.C21H20O4.C20H18O4/c1-13-6-18(7-14(2)22(13)26)10-20-12-21(25(29)17(5)24(20)28)11-19-8-15(3)23(27)16(4)9-19;1-13-5-17(6-14(2)23(13)27)9-19-11-20(22(26)12-21(19)25)10-18-7-15(3)24(28)16(4)8-18;1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25;1-13-20(24)16(10-14-2-6-18(22)7-3-14)12-17(21(13)25)11-15-4-8-19(23)9-5-15;21-17-5-1-13(2-6-17)9-15-11-16(20(24)12-19(15)23)10-14-3-7-18(22)8-4-14/h6-9,12,26-29H,10-11H2,1-5H3;5-8,11-12,25-28H,9-10H2,1-4H3;4-11,24-26H,12-13H2,1-3H3;2-9,12,22-25H,10-11H2,1H3;1-8,11-12,21-24H,9-10H2.
What are the key properties of 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol?
4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol has a molecular weight of 1778.15 g/mol, XLogP of 22.76, 20 rotatable bonds, 19 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylbenzene-1,3-diol;2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol;4,6-bis[(4-hydroxyphenyl)methyl]-2-methylbenzene-1,3-diol is sourced from PubChem (CID 157135640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).