2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol

C23H32O2 — CID 12617722

IUPAC2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol
SMILESCC(C)(C)Cc1cccc(Cc2cccc(CC(C)(C)C)c2O)c1O
InChIInChI=1S/C23H32O2/c1-22(2,3)14-18-11-7-9-16(20(18)24)13-17-10-8-12-19(21(17)25)15-23(4,5)6/h7-12,24-25H,13-15H2,1-6H3
InChIKeyWMQSSXBVJQZRMS-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.87
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol

2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol (PubChem CID 12617722) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol
PubChem CID12617722
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol
SMILESCC(C)(C)Cc1cccc(Cc2cccc(CC(C)(C)C)c2O)c1O
InChIInChI=1S/C23H32O2/c1-22(2,3)14-18-11-7-9-16(20(18)24)13-17-10-8-12-19(21(17)25)15-23(4,5)6/h7-12,24-25H,13-15H2,1-6H3
InChIKeyWMQSSXBVJQZRMS-UHFFFAOYSA-N
XLogP5.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
2,6-bis(4,4-dimethylpentyl)phenol
CID 170103636
2-methyl-6-[2-methyl-2-(methylamino)propyl]phenol
CID 83698359
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928
6-(2,2-dimethylpropyl)-2,3-difluorophenol
CID 58149383
2-(2-ethyl-2-methylbutyl)-6-(3-methylpentan-3-yl)phenol
CID 130178622

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol?
The IUPAC name of 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol (CID 12617722) is 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol is CC(C)(C)Cc1cccc(Cc2cccc(CC(C)(C)C)c2O)c1O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol?
The InChIKey is WMQSSXBVJQZRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-22(2,3)14-18-11-7-9-16(20(18)24)13-17-10-8-12-19(21(17)25)15-23(4,5)6/h7-12,24-25H,13-15H2,1-6H3.
What are the key properties of 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol?
2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol has a molecular weight of 340.51 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol is sourced from PubChem (CID 12617722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).