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

C74H94O6 — CID 161373034

IUPAC2,6-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
SMILESCCC(C)(C)c1cc(C)c(O)c(C)c1.CCC(C)(C)c1ccc(O)c(C)c1.CCC(C)(C)c1ccc2cc(O)c(O)cc2c1.CCC(C)(C)c1ccc2cc(O)ccc2c1.CCC(C)(C)c1ccc2cc3cc(O)ccc3cc2c1
InChIInChI=1S/C19H20O.C15H18O2.C15H18O.C13H20O.C12H18O/c1-4-19(2,3)17-7-5-13-10-16-12-18(20)8-6-14(16)9-15(13)11-17;1-4-15(2,3)12-6-5-10-8-13(16)14(17)9-11(10)7-12;1-4-15(2,3)13-7-5-12-10-14(16)8-6-11(12)9-13;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/h5-12,20H,4H2,1-3H3;5-9,16-17H,4H2,1-3H3;5-10,16H,4H2,1-3H3;7-8,14H,6H2,1-5H3;6-8,13H,5H2,1-4H3
InChIKeyVQSFXTRJINRCIV-UHFFFAOYSA-N
MW1079.56 g/mol
LogP20.64
Rot. Bonds10

About 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

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 (PubChem CID 161373034) has the molecular formula C74H94O6 and a molecular weight of 1079.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID161373034
Molecular FormulaC74H94O6
Molecular Weight1079.56 g/mol
Exact Mass1078.71
IUPAC Name2,6-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
SMILESCCC(C)(C)c1cc(C)c(O)c(C)c1.CCC(C)(C)c1ccc(O)c(C)c1.CCC(C)(C)c1ccc2cc(O)c(O)cc2c1.CCC(C)(C)c1ccc2cc(O)ccc2c1.CCC(C)(C)c1ccc2cc3cc(O)ccc3cc2c1
InChIInChI=1S/C19H20O.C15H18O2.C15H18O.C13H20O.C12H18O/c1-4-19(2,3)17-7-5-13-10-16-12-18(20)8-6-14(16)9-15(13)11-17;1-4-15(2,3)12-6-5-10-8-13(16)14(17)9-11(10)7-12;1-4-15(2,3)13-7-5-12-10-14(16)8-6-11(12)9-13;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/h5-12,20H,4H2,1-3H3;5-9,16-17H,4H2,1-3H3;5-10,16H,4H2,1-3H3;7-8,14H,6H2,1-5H3;6-8,13H,5H2,1-4H3
InChIKeyVQSFXTRJINRCIV-UHFFFAOYSA-N
XLogP20.64
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001079.56
LogP ≤ 520.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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
6-(3-methylpentan-3-yl)naphthalen-2-ol
CID 172584757
6-(2,3,3-trimethylpentan-2-yl)naphthalen-2-ol
CID 175557126
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
(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-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
CID 157360346
4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol
CID 174821051
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)(C)c1cc(C)c(O)c(C)c1.CCC(C)(C)c1ccc(O)c(C)c1.CCC(C)(C)c1ccc2cc(O)c(O)cc2c1.CCC(C)(C)c1ccc2cc(O)ccc2c1.CCC(C)(C)c1ccc2cc3cc(O)ccc3cc2c1.
What is the InChIKey of 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?
The InChIKey is VQSFXTRJINRCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O.C15H18O2.C15H18O.C13H20O.C12H18O/c1-4-19(2,3)17-7-5-13-10-16-12-18(20)8-6-14(16)9-15(13)11-17;1-4-15(2,3)12-6-5-10-8-13(16)14(17)9-11(10)7-12;1-4-15(2,3)13-7-5-12-10-14(16)8-6-11(12)9-13;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/h5-12,20H,4H2,1-3H3;5-9,16-17H,4H2,1-3H3;5-10,16H,4H2,1-3H3;7-8,14H,6H2,1-5H3;6-8,13H,5H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1079.56 g/mol, XLogP of 20.64, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161373034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).