2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol

C77H106O10 — CID 162178638

IUPAC2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)c(O)c(C)c1.CCC(C)(C)c1cc(O)cc(O)c1.CCC(C)(C)c1ccc(O)c(C)c1.CCC(C)(C)c1ccc(O)c(O)c1.CCC(C)(C)c1ccc(O)c2cc(O)ccc12.CCC(C)(C)c1ccc2cc(O)c(O)cc2c1
InChIInChI=1S/2C15H18O2.C13H20O.C12H18O.2C11H16O2/c1-4-15(2,3)12-6-5-10-8-13(16)14(17)9-11(10)7-12;1-4-15(2,3)13-7-8-14(17)12-9-10(16)5-6-11(12)13;1-6-13(4,5)11-7-9(2)12(14)10(3)8-11;1-5-12(3,4)10-6-7-11(13)9(2)8-10;1-4-11(2,3)8-5-9(12)7-10(13)6-8;1-4-11(2,3)8-5-6-9(12)10(13)7-8/h2*5-9,16-17H,4H2,1-3H3;7-8,14H,6H2,1-5H3;6-8,13H,5H2,1-4H3;2*5-7,12-13H,4H2,1-3H3
InChIKeyZOSNQMKPGYSBON-UHFFFAOYSA-N
MW1191.68 g/mol
LogP20.53
Rot. Bonds12

About 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol

2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol (PubChem CID 162178638) has the molecular formula C77H106O10 and a molecular weight of 1191.68 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol
PubChem CID162178638
Molecular FormulaC77H106O10
Molecular Weight1191.68 g/mol
Exact Mass1190.78
IUPAC Name2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)c(O)c(C)c1.CCC(C)(C)c1cc(O)cc(O)c1.CCC(C)(C)c1ccc(O)c(C)c1.CCC(C)(C)c1ccc(O)c(O)c1.CCC(C)(C)c1ccc(O)c2cc(O)ccc12.CCC(C)(C)c1ccc2cc(O)c(O)cc2c1
InChIInChI=1S/2C15H18O2.C13H20O.C12H18O.2C11H16O2/c1-4-15(2,3)12-6-5-10-8-13(16)14(17)9-11(10)7-12;1-4-15(2,3)13-7-8-14(17)12-9-10(16)5-6-11(12)13;1-6-13(4,5)11-7-9(2)12(14)10(3)8-11;1-5-12(3,4)10-6-7-11(13)9(2)8-10;1-4-11(2,3)8-5-9(12)7-10(13)6-8;1-4-11(2,3)8-5-6-9(12)10(13)7-8/h2*5-9,16-17H,4H2,1-3H3;7-8,14H,6H2,1-5H3;6-8,13H,5H2,1-4H3;2*5-7,12-13H,4H2,1-3H3
InChIKeyZOSNQMKPGYSBON-UHFFFAOYSA-N
XLogP20.53
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001191.68
LogP ≤ 520.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol with MolForge

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Related Compounds

2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;6-(2-methylbutan-2-yl)anthracen-2-ol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;6-(2-methylbutan-2-yl)naphthalen-2-ol;2-methyl-4-(2-methylbutan-2-yl)phenol
CID 161373034
(4,6-dihydroxynaphthalen-1-yl) 2,2-dimethylbutanoate;(6,7-dihydroxynaphthalen-2-yl) 2,2-dimethylbutanoate;(3,4-dihydroxyphenyl) 2,2-dimethylbutanoate;(3,5-dihydroxyphenyl) 2,2-dimethylbutanoate;6-(2-methylbutan-2-yl)anthracene-2,3-diol
CID 159525007
4-(2-methylbutan-2-yl)benzene-1,2-diol;2-(2-methylbutan-2-yl)benzene-1,3,5-triol
CID 161382445
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol
CID 139838635
(3,4-dihydroxyphenyl) 2,2-dimethylbutanoate;2-fluoro-4-(2-methylbutan-2-yl)phenol;2-iodo-6-methoxy-4-(2-methylbutan-2-yl)phenol;methane;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,2,3-triol;2-methyl-4-(2-methylbutan-2-yl)phenol
CID 162224827
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
6-(3-methylpentan-3-yl)naphthalen-2-ol
CID 172584757
methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
CID 159220306
benzene-1,3-diol;4-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 19086682
isocyanic acid;2-(2-methylbutan-2-yl)benzene-1,4-diol
CID 155209022

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol (CID 162178638) is 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(C)c(O)c(C)c1.CCC(C)(C)c1cc(O)cc(O)c1.CCC(C)(C)c1ccc(O)c(C)c1.CCC(C)(C)c1ccc(O)c(O)c1.CCC(C)(C)c1ccc(O)c2cc(O)ccc12.CCC(C)(C)c1ccc2cc(O)c(O)cc2c1.
What is the InChIKey of 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol?
The InChIKey is ZOSNQMKPGYSBON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18O2.C13H20O.C12H18O.2C11H16O2/c1-4-15(2,3)12-6-5-10-8-13(16)14(17)9-11(10)7-12;1-4-15(2,3)13-7-8-14(17)12-9-10(16)5-6-11(12)13;1-6-13(4,5)11-7-9(2)12(14)10(3)8-11;1-5-12(3,4)10-6-7-11(13)9(2)8-10;1-4-11(2,3)8-5-9(12)7-10(13)6-8;1-4-11(2,3)8-5-6-9(12)10(13)7-8/h2*5-9,16-17H,4H2,1-3H3;7-8,14H,6H2,1-5H3;6-8,13H,5H2,1-4H3;2*5-7,12-13H,4H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol?
2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol has a molecular weight of 1191.68 g/mol, XLogP of 20.53, 12 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-methylbutan-2-yl)phenol;4-(2-methylbutan-2-yl)benzene-1,2-diol;5-(2-methylbutan-2-yl)benzene-1,3-diol;4-(2-methylbutan-2-yl)naphthalene-1,7-diol;6-(2-methylbutan-2-yl)naphthalene-2,3-diol;2-methyl-4-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 162178638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).