6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol

C27H40O2 — CID 54497007

IUPAC6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol
SMILESCOc1c(C(C)(C)C)cc(C)c(C)c1C(C)c1c(C)c(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H40O2/c1-15-13-20(26(6,7)8)24(28)22(17(15)3)19(5)23-18(4)16(2)14-21(25(23)29-12)27(9,10)11/h13-14,19,28H,1-12H3
InChIKeyXZUURTSZTWDMER-UHFFFAOYSA-N
MW396.62 g/mol
LogP7.38
Rot. Bonds3

About 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol

6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol (PubChem CID 54497007) has the molecular formula C27H40O2 and a molecular weight of 396.62 g/mol. Its IUPAC name is 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol.

Molecular Properties

Compound Name6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol
PubChem CID54497007
Molecular FormulaC27H40O2
Molecular Weight396.62 g/mol
Exact Mass396.30
IUPAC Name6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol
SMILESCOc1c(C(C)(C)C)cc(C)c(C)c1C(C)c1c(C)c(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C27H40O2/c1-15-13-20(26(6,7)8)24(28)22(17(15)3)19(5)23-18(4)16(2)14-21(25(23)29-12)27(9,10)11/h13-14,19,28H,1-12H3
InChIKeyXZUURTSZTWDMER-UHFFFAOYSA-N
XLogP7.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol with MolForge

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Related Compounds

1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxy-6-methylphenyl)ethyl]-5-methylphenol
CID 70477188
6-tert-butyl-2,3,4-trimethylphenol;2,6-ditert-butyl-4-methylphenol;methane
CID 159742273
2,6-ditert-butyl-4-methoxyphenol
CID 10269
1-tert-butyl-4-methoxy-2,3-dimethyl-5-propan-2-ylbenzene
CID 89220964
[6-tert-butyl-2-(3-tert-butyl-2-hydroxy-5,6-dimethylphenyl)-3,4-dimethylphenyl] benzenesulfonate
CID 139076861
1-(3-tert-butyl-2-methoxy-6-methylphenyl)ethanamine
CID 117317113
2-fluoro-3-(2-hydroxypropan-2-yl)-6-methoxy-5-methylphenol
CID 117305491
2-tert-butyl-6-(3-tert-butyl-5-methoxy-2-methylphenyl)-4-methoxyphenol
CID 166011841
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
(3,5-ditert-butyl-4-methoxyphenyl)boronic acid
CID 74891306
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol?
The IUPAC name of 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol (CID 54497007) is 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol.
What is the SMILES notation for 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol?
The canonical SMILES for 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol is COc1c(C(C)(C)C)cc(C)c(C)c1C(C)c1c(C)c(C)cc(C(C)(C)C)c1O.
What is the InChIKey of 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol?
The InChIKey is XZUURTSZTWDMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2/c1-15-13-20(26(6,7)8)24(28)22(17(15)3)19(5)23-18(4)16(2)14-21(25(23)29-12)27(9,10)11/h13-14,19,28H,1-12H3.
What are the key properties of 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol?
6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol has a molecular weight of 396.62 g/mol, XLogP of 7.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[1-(3-tert-butyl-2-methoxy-5,6-dimethylphenyl)ethyl]-3,4-dimethylphenol is sourced from PubChem (CID 54497007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).