4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol

C19H24O — CID 174821051

IUPAC4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol
SMILESCCC(C)(C)c1cc(C)c(-c2ccc(O)cc2)c(C)c1
InChIInChI=1S/C19H24O/c1-6-19(4,5)16-11-13(2)18(14(3)12-16)15-7-9-17(20)10-8-15/h7-12,20H,6H2,1-5H3
InChIKeyDBKZKXAPLFEYLF-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.36
Rot. Bonds3

About 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol

4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol (PubChem CID 174821051) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol
PubChem CID174821051
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol
SMILESCCC(C)(C)c1cc(C)c(-c2ccc(O)cc2)c(C)c1
InChIInChI=1S/C19H24O/c1-6-19(4,5)16-11-13(2)18(14(3)12-16)15-7-9-17(20)10-8-15/h7-12,20H,6H2,1-5H3
InChIKeyDBKZKXAPLFEYLF-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 161085826
1,3-bis(2-methylbutan-2-yl)benzene;phenol
CID 175328016
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
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
5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol
CID 101299469
4-(2,6-ditert-butyl-4-propylphenyl)phenol
CID 175331459
3-(4-hydroxyphenyl)-2,4,5-trimethylphenol
CID 101299207
4,6-diethyl-5-(4-hydroxyphenyl)benzene-1,3-diol
CID 101303207
4-bromo-3,5-dimethylphenol;3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenol
CID 158996885
4-hexylphenol;4-(2-methylbutan-2-yl)phenol
CID 70208179

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol?
The IUPAC name of 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol (CID 174821051) is 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol.
What is the SMILES notation for 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol?
The canonical SMILES for 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol is CCC(C)(C)c1cc(C)c(-c2ccc(O)cc2)c(C)c1.
What is the InChIKey of 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol?
The InChIKey is DBKZKXAPLFEYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-6-19(4,5)16-11-13(2)18(14(3)12-16)15-7-9-17(20)10-8-15/h7-12,20H,6H2,1-5H3.
What are the key properties of 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol?
4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol has a molecular weight of 268.40 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dimethyl-4-(2-methylbutan-2-yl)phenyl]phenol is sourced from PubChem (CID 174821051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).