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

C46H48O6 — CID 69478523

IUPAC4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2cc(C)c(O)c(C)c2)c2ccccc2O)cc(C)c1O.Cc1cc(C(c2cc(C)c(O)cc2C)c2ccccc2O)c(C)cc1O
InChIInChI=1S/2C23H24O3/c1-13-11-21(25)15(3)9-18(13)23(17-7-5-6-8-20(17)24)19-10-16(4)22(26)12-14(19)2;1-13-9-17(10-14(2)22(13)25)21(19-7-5-6-8-20(19)24)18-11-15(3)23(26)16(4)12-18/h5-12,23-26H,1-4H3;5-12,21,24-26H,1-4H3
InChIKeyWKGPEZYMSRVAFU-UHFFFAOYSA-N
MW696.88 g/mol
LogP10.43
Rot. Bonds6

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

4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol (PubChem CID 69478523) has the molecular formula C46H48O6 and a molecular weight of 696.88 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
PubChem CID69478523
Molecular FormulaC46H48O6
Molecular Weight696.88 g/mol
Exact Mass696.35
IUPAC Name4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
SMILESCc1cc(C(c2cc(C)c(O)c(C)c2)c2ccccc2O)cc(C)c1O.Cc1cc(C(c2cc(C)c(O)cc2C)c2ccccc2O)c(C)cc1O
InChIInChI=1S/2C23H24O3/c1-13-11-21(25)15(3)9-18(13)23(17-7-5-6-8-20(17)24)19-10-16(4)22(26)12-14(19)2;1-13-9-17(10-14(2)22(13)25)21(19-7-5-6-8-20(19)24)18-11-15(3)23(26)16(4)12-18/h5-12,23-26H,1-4H3;5-12,21,24-26H,1-4H3
InChIKeyWKGPEZYMSRVAFU-UHFFFAOYSA-N
XLogP10.43
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500696.88
LogP ≤ 510.43
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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Related Compounds

benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol
CID 159315795
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-2,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 167664595
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 138464044
4-[bis(4-hydroxyphenyl)methyl]phenol;4-[(2,4-dihydroxy-3-methylphenyl)-(4-methylphenyl)methyl]-2-methylbenzene-1,3-diol;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-2,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 162202789
4-[(2,5-dimethylphenyl)-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol
CID 110175378
4-[bis(4-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 118667410
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol
CID 143591911
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
[2-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl] prop-2-enoate
CID 118403033
2,6-bis[bis(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 86179554
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol (CID 69478523) is 4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol is Cc1cc(C(c2cc(C)c(O)c(C)c2)c2ccccc2O)cc(C)c1O.Cc1cc(C(c2cc(C)c(O)cc2C)c2ccccc2O)c(C)cc1O.
What is the InChIKey of 4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol?
The InChIKey is WKGPEZYMSRVAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H24O3/c1-13-11-21(25)15(3)9-18(13)23(17-7-5-6-8-20(17)24)19-10-16(4)22(26)12-14(19)2;1-13-9-17(10-14(2)22(13)25)21(19-7-5-6-8-20(19)24)18-11-15(3)23(26)16(4)12-18/h5-12,23-26H,1-4H3;5-12,21,24-26H,1-4H3.
What are the key properties of 4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol?
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol has a molecular weight of 696.88 g/mol, XLogP of 10.43, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 69478523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).