2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol

C37H36O10 — CID 153496913

IUPAC2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
SMILESCCc1cc(O)c(Cc2cc(O)c(Cc3cc(O)c(Cc4cc(O)c(Cc5cc(O)c(C)cc5O)cc4O)cc3O)cc2O)cc1O
InChIInChI=1S/C37H36O10/c1-3-19-9-31(41)21(11-30(19)40)6-23-13-35(45)25(15-34(23)44)8-27-17-36(46)26(16-37(27)47)7-24-14-32(42)22(12-33(24)43)5-20-10-28(38)18(2)4-29(20)39/h4,9-17,38-47H,3,5-8H2,1-2H3
InChIKeyDOYHXJQIQNAKRN-UHFFFAOYSA-N
MW640.69 g/mol
LogP5.98
Rot. Bonds9

About 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol

2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol (PubChem CID 153496913) has the molecular formula C37H36O10 and a molecular weight of 640.69 g/mol. Its IUPAC name is 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
PubChem CID153496913
Molecular FormulaC37H36O10
Molecular Weight640.69 g/mol
Exact Mass640.23
IUPAC Name2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
SMILESCCc1cc(O)c(Cc2cc(O)c(Cc3cc(O)c(Cc4cc(O)c(Cc5cc(O)c(C)cc5O)cc4O)cc3O)cc2O)cc1O
InChIInChI=1S/C37H36O10/c1-3-19-9-31(41)21(11-30(19)40)6-23-13-35(45)25(15-34(23)44)8-27-17-36(46)26(16-37(27)47)7-24-14-32(42)22(12-33(24)43)5-20-10-28(38)18(2)4-29(20)39/h4,9-17,38-47H,3,5-8H2,1-2H3
InChIKeyDOYHXJQIQNAKRN-UHFFFAOYSA-N
XLogP5.98
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500640.69
LogP ≤ 55.98
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol with MolForge

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Related Compounds

5-ethyl-4-fluoro-2-methylphenol
CID 118092212
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
4-amino-2-ethyl-5-methylphenol
CID 105429592
4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925792
4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 162304055
2-ethyl-4-(1-hydroxyethyl)-5-methylphenol
CID 117278450
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2-ethyl-4-(1-hydroxycyclopropyl)-5-methylphenol
CID 117283106
5-tert-butyl-4-ethyl-2-methylphenol
CID 142192089
4-[(2-hydroxyphenyl)methyl]-2,5-dimethylphenol
CID 18000570
2-hexadec-2-enyl-5-methylbenzene-1,4-diol
CID 67844524

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol?
The IUPAC name of 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol (CID 153496913) is 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol.
What is the SMILES notation for 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol?
The canonical SMILES for 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol is CCc1cc(O)c(Cc2cc(O)c(Cc3cc(O)c(Cc4cc(O)c(Cc5cc(O)c(C)cc5O)cc4O)cc3O)cc2O)cc1O.
What is the InChIKey of 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol?
The InChIKey is DOYHXJQIQNAKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36O10/c1-3-19-9-31(41)21(11-30(19)40)6-23-13-35(45)25(15-34(23)44)8-27-17-36(46)26(16-37(27)47)7-24-14-32(42)22(12-33(24)43)5-20-10-28(38)18(2)4-29(20)39/h4,9-17,38-47H,3,5-8H2,1-2H3.
What are the key properties of 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol?
2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol has a molecular weight of 640.69 g/mol, XLogP of 5.98, 9 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol is sourced from PubChem (CID 153496913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).