4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol

C51H48O6 — CID 18949647

IUPAC4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
SMILESCc1ccc(O)c(Cc2cc(C(c3ccccc3)c3cc(Cc4cc(C)ccc4O)c(O)c(Cc4cc(C)ccc4O)c3)cc(Cc3cc(C)ccc3O)c2O)c1
InChIInChI=1S/C51H48O6/c1-30-10-14-45(52)35(18-30)22-41-26-39(27-42(50(41)56)23-36-19-31(2)11-15-46(36)53)49(34-8-6-5-7-9-34)40-28-43(24-37-20-32(3)12-16-47(37)54)51(57)44(29-40)25-38-21-33(4)13-17-48(38)55/h5-21,26-29,49,52-57H,22-25H2,1-4H3
InChIKeyYPRBEPXEIDDXPN-UHFFFAOYSA-N
MW756.94 g/mol
LogP10.70
Rot. Bonds11

About 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol

4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol (PubChem CID 18949647) has the molecular formula C51H48O6 and a molecular weight of 756.94 g/mol. Its IUPAC name is 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
PubChem CID18949647
Molecular FormulaC51H48O6
Molecular Weight756.94 g/mol
Exact Mass756.35
IUPAC Name4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
SMILESCc1ccc(O)c(Cc2cc(C(c3ccccc3)c3cc(Cc4cc(C)ccc4O)c(O)c(Cc4cc(C)ccc4O)c3)cc(Cc3cc(C)ccc3O)c2O)c1
InChIInChI=1S/C51H48O6/c1-30-10-14-45(52)35(18-30)22-41-26-39(27-42(50(41)56)23-36-19-31(2)11-15-46(36)53)49(34-8-6-5-7-9-34)40-28-43(24-37-20-32(3)12-16-47(37)54)51(57)44(29-40)25-38-21-33(4)13-17-48(38)55/h5-21,26-29,49,52-57H,22-25H2,1-4H3
InChIKeyYPRBEPXEIDDXPN-UHFFFAOYSA-N
XLogP10.70
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500756.94
LogP ≤ 510.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol?
The IUPAC name of 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol (CID 18949647) is 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol.
What is the SMILES notation for 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol?
The canonical SMILES for 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol is Cc1ccc(O)c(Cc2cc(C(c3ccccc3)c3cc(Cc4cc(C)ccc4O)c(O)c(Cc4cc(C)ccc4O)c3)cc(Cc3cc(C)ccc3O)c2O)c1.
What is the InChIKey of 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol?
The InChIKey is YPRBEPXEIDDXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48O6/c1-30-10-14-45(52)35(18-30)22-41-26-39(27-42(50(41)56)23-36-19-31(2)11-15-46(36)53)49(34-8-6-5-7-9-34)40-28-43(24-37-20-32(3)12-16-47(37)54)51(57)44(29-40)25-38-21-33(4)13-17-48(38)55/h5-21,26-29,49,52-57H,22-25H2,1-4H3.
What are the key properties of 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol?
4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol has a molecular weight of 756.94 g/mol, XLogP of 10.70, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3,5-bis[(2-hydroxy-5-methylphenyl)methyl]phenyl]-phenylmethyl]-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol is sourced from PubChem (CID 18949647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).