2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol

C19H32O2 — CID 88687276

IUPAC2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol
SMILESCc1cc(C(C)(C)CCCC(C)O)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H32O2/c1-13-11-15(12-16(17(13)21)18(3,4)5)19(6,7)10-8-9-14(2)20/h11-12,14,20-21H,8-10H2,1-7H3
InChIKeyOVGSGRBKHZLIHE-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.83
Rot. Bonds5

About 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol

2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol (PubChem CID 88687276) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol
PubChem CID88687276
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol
SMILESCc1cc(C(C)(C)CCCC(C)O)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H32O2/c1-13-11-15(12-16(17(13)21)18(3,4)5)19(6,7)10-8-9-14(2)20/h11-12,14,20-21H,8-10H2,1-7H3
InChIKeyOVGSGRBKHZLIHE-UHFFFAOYSA-N
XLogP4.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid
CID 88714569
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane
CID 158537359
2-tert-butyl-4,6-dimethylphenol
CID 87814182
6-[3,5-bis(6-amino-2-methylheptan-2-yl)phenyl]-6-methylheptan-2-amine
CID 70151483
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxy-5-methylphenyl)nonyl]-6-methylphenol
CID 19003409
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane
CID 142081477
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)heptan-2-yl]phenol
CID 139825010
CID 135046337
CID 135046337

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol?
The IUPAC name of 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol (CID 88687276) is 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol.
What is the SMILES notation for 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol?
The canonical SMILES for 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol is Cc1cc(C(C)(C)CCCC(C)O)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol?
The InChIKey is OVGSGRBKHZLIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-13-11-15(12-16(17(13)21)18(3,4)5)19(6,7)10-8-9-14(2)20/h11-12,14,20-21H,8-10H2,1-7H3.
What are the key properties of 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol?
2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol has a molecular weight of 292.46 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol is sourced from PubChem (CID 88687276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).