4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol

C45H52O5 — CID 18336098

IUPAC4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol
SMILESCc1cc(Cc2cc(C)c(O)c(Cc3c(O)cc(C)c(C)c3C)c2C)c(O)c(Cc2cc(C)c(O)c(Cc3c(O)cc(C)c(C)c3C)c2C)c1
InChIInChI=1S/C45H52O5/c1-22-12-35(18-33-14-25(4)43(48)39(31(33)10)20-37-29(8)27(6)23(2)16-41(37)46)45(50)36(13-22)19-34-15-26(5)44(49)40(32(34)11)21-38-30(9)28(7)24(3)17-42(38)47/h12-17,46-50H,18-21H2,1-11H3
InChIKeyFCTYVGKIEVHPRB-UHFFFAOYSA-N
MW672.91 g/mol
LogP9.97
Rot. Bonds8

About 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol

4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol (PubChem CID 18336098) has the molecular formula C45H52O5 and a molecular weight of 672.91 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol
PubChem CID18336098
Molecular FormulaC45H52O5
Molecular Weight672.91 g/mol
Exact Mass672.38
IUPAC Name4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol
SMILESCc1cc(Cc2cc(C)c(O)c(Cc3c(O)cc(C)c(C)c3C)c2C)c(O)c(Cc2cc(C)c(O)c(Cc3c(O)cc(C)c(C)c3C)c2C)c1
InChIInChI=1S/C45H52O5/c1-22-12-35(18-33-14-25(4)43(48)39(31(33)10)20-37-29(8)27(6)23(2)16-41(37)46)45(50)36(13-22)19-34-15-26(5)44(49)40(32(34)11)21-38-30(9)28(7)24(3)17-42(38)47/h12-17,46-50H,18-21H2,1-11H3
InChIKeyFCTYVGKIEVHPRB-UHFFFAOYSA-N
XLogP9.97
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.91
LogP ≤ 59.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol?
The IUPAC name of 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol (CID 18336098) is 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol.
What is the SMILES notation for 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol?
The canonical SMILES for 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol is Cc1cc(Cc2cc(C)c(O)c(Cc3c(O)cc(C)c(C)c3C)c2C)c(O)c(Cc2cc(C)c(O)c(Cc3c(O)cc(C)c(C)c3C)c2C)c1.
What is the InChIKey of 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol?
The InChIKey is FCTYVGKIEVHPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H52O5/c1-22-12-35(18-33-14-25(4)43(48)39(31(33)10)20-37-29(8)27(6)23(2)16-41(37)46)45(50)36(13-22)19-34-15-26(5)44(49)40(32(34)11)21-38-30(9)28(7)24(3)17-42(38)47/h12-17,46-50H,18-21H2,1-11H3.
What are the key properties of 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol?
4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol has a molecular weight of 672.91 g/mol, XLogP of 9.97, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol is sourced from PubChem (CID 18336098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).