4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol

C37H36O5 — CID 139730206

IUPAC4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2cc(C)c(O)c(C)c2)c2cc(Cc3ccc(O)cc3)c(O)c(Cc3ccc(O)cc3)c2)cc(C)c1O
InChIInChI=1S/C37H36O5/c1-21-13-27(14-22(2)35(21)40)34(28-15-23(3)36(41)24(4)16-28)29-19-30(17-25-5-9-32(38)10-6-25)37(42)31(20-29)18-26-7-11-33(39)12-8-26/h5-16,19-20,34,38-42H,17-18H2,1-4H3
InChIKeyUMWSQNVIIOYFRM-UHFFFAOYSA-N
MW560.69 g/mol
LogP7.81
Rot. Bonds7

About 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol

4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol (PubChem CID 139730206) has the molecular formula C37H36O5 and a molecular weight of 560.69 g/mol. Its IUPAC name is 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
PubChem CID139730206
Molecular FormulaC37H36O5
Molecular Weight560.69 g/mol
Exact Mass560.26
IUPAC Name4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2cc(C)c(O)c(C)c2)c2cc(Cc3ccc(O)cc3)c(O)c(Cc3ccc(O)cc3)c2)cc(C)c1O
InChIInChI=1S/C37H36O5/c1-21-13-27(14-22(2)35(21)40)34(28-15-23(3)36(41)24(4)16-28)29-19-30(17-25-5-9-32(38)10-6-25)37(42)31(20-29)18-26-7-11-33(39)12-8-26/h5-16,19-20,34,38-42H,17-18H2,1-4H3
InChIKeyUMWSQNVIIOYFRM-UHFFFAOYSA-N
XLogP7.81
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.69
LogP ≤ 57.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis[(4-hydroxyphenyl)methyl]-3,4-dimethylphenol
CID 22925950
4-[[4-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-2,6-dimethylphenol
CID 88656560
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925896
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240
4-[bis(4-hydroxyphenyl)methyl]phenol;4-[(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;4-[(4-hydroxy-3-methylphenyl)-phenylmethyl]-2-methylphenol;4-[(4-hydroxyphenyl)methyl]phenol
CID 167558722
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2,6-bis(methoxymethyl)phenol
CID 21344501
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
4,6-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
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
2,6-bis[[4-hydroxy-3-[(4-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4-methylphenol
CID 21344476
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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol (CID 139730206) is 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol is Cc1cc(C(c2cc(C)c(O)c(C)c2)c2cc(Cc3ccc(O)cc3)c(O)c(Cc3ccc(O)cc3)c2)cc(C)c1O.
What is the InChIKey of 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol?
The InChIKey is UMWSQNVIIOYFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36O5/c1-21-13-27(14-22(2)35(21)40)34(28-15-23(3)36(41)24(4)16-28)29-19-30(17-25-5-9-32(38)10-6-25)37(42)31(20-29)18-26-7-11-33(39)12-8-26/h5-16,19-20,34,38-42H,17-18H2,1-4H3.
What are the key properties of 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol?
4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol has a molecular weight of 560.69 g/mol, XLogP of 7.81, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3,5-bis[(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 139730206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).