4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol

C27H34O7 — CID 145345584

IUPAC4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol
SMILESCO.Cc1cc(C(C)(c2cc(C)c(O)c(CO)c2)c2cc(CO)c(O)c(CO)c2)cc(C)c1O
InChIInChI=1S/C26H30O6.CH4O/c1-14-5-20(6-15(2)23(14)30)26(4,21-7-16(3)24(31)17(8-21)11-27)22-9-18(12-28)25(32)19(10-22)13-29;1-2/h5-10,27-32H,11-13H2,1-4H3;2H,1H3
InChIKeyFZAMQCIUNOKPJL-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.17
Rot. Bonds6

About 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol

4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol (PubChem CID 145345584) has the molecular formula C27H34O7 and a molecular weight of 470.56 g/mol. Its IUPAC name is 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol.

Molecular Properties

Compound Name4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol
PubChem CID145345584
Molecular FormulaC27H34O7
Molecular Weight470.56 g/mol
Exact Mass470.23
IUPAC Name4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol
SMILESCO.Cc1cc(C(C)(c2cc(C)c(O)c(CO)c2)c2cc(CO)c(O)c(CO)c2)cc(C)c1O
InChIInChI=1S/C26H30O6.CH4O/c1-14-5-20(6-15(2)23(14)30)26(4,21-7-16(3)24(31)17(8-21)11-27)22-9-18(12-28)25(32)19(10-22)13-29;1-2/h5-10,27-32H,11-13H2,1-4H3;2H,1H3
InChIKeyFZAMQCIUNOKPJL-UHFFFAOYSA-N
XLogP3.17
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.56
LogP ≤ 53.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 22743719
4-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol
CID 145189895
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
2-(hydroxymethyl)-4-iodo-6-methylphenol
CID 74655415
4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol;4-[[10-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]anthracen-9-yl]methyl]-2,6-bis(hydroxymethyl)phenol
CID 159536385
4-tert-butyl-2-(5-hydroxypentyl)-6-methylphenol
CID 21199833
4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol
CID 59541081
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(hydroxymethyl)phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 10811012
4-tert-butyl-2-[[(5-tert-butyl-2-hydroxy-3-methylphenyl)methyl-(4-hydroxybutyl)amino]methyl]-6-methylphenol
CID 102157123
4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 20809986
4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 23539942
4-tert-butyl-2-[(hydroxyamino)methyl]-6-methylphenol;hydrochloride
CID 20553836

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol?
The IUPAC name of 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol (CID 145345584) is 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol.
What is the SMILES notation for 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol?
The canonical SMILES for 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol is CO.Cc1cc(C(C)(c2cc(C)c(O)c(CO)c2)c2cc(CO)c(O)c(CO)c2)cc(C)c1O.
What is the InChIKey of 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol?
The InChIKey is FZAMQCIUNOKPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O6.CH4O/c1-14-5-20(6-15(2)23(14)30)26(4,21-7-16(3)24(31)17(8-21)11-27)22-9-18(12-28)25(32)19(10-22)13-29;1-2/h5-10,27-32H,11-13H2,1-4H3;2H,1H3.
What are the key properties of 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol?
4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol has a molecular weight of 470.56 g/mol, XLogP of 3.17, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol is sourced from PubChem (CID 145345584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).