2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol

C16H26O — CID 163600414

IUPAC2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol
SMILESCc1cc(CC(C)(C)C)c(C)c(C(C)(C)O)c1
InChIInChI=1S/C16H26O/c1-11-8-13(10-15(3,4)5)12(2)14(9-11)16(6,7)17/h8-9,17H,10H2,1-7H3
InChIKeyGXCQEIVAZRFMNO-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.12
Rot. Bonds2

About 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol

2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol (PubChem CID 163600414) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol
PubChem CID163600414
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol
SMILESCc1cc(CC(C)(C)C)c(C)c(C(C)(C)O)c1
InChIInChI=1S/C16H26O/c1-11-8-13(10-15(3,4)5)12(2)14(9-11)16(6,7)17/h8-9,17H,10H2,1-7H3
InChIKeyGXCQEIVAZRFMNO-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2,5-dimethylphenyl)propan-2-ol
CID 84668610
pentakis(1,3-bis(2,2-dimethylpropyl)-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene);propane
CID 162289377
2-(2-bromo-3,5-dimethylphenyl)propan-2-ol
CID 84703706
(2-tert-butyl-6-ethyl-4-methylphenyl)methanol
CID 123284303
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 59095314
1-(chloromethyl)-2,5-dimethyl-3-(trifluoromethyl)benzene
CID 171016336
4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol
CID 117113905
(3-tert-butyl-2-chloro-5-methylphenyl)methanol
CID 170078699
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
1-(3-tert-butyl-2-ethoxy-5-methylphenyl)heptane-3,4-diol
CID 83943134

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol (CID 163600414) is 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol is Cc1cc(CC(C)(C)C)c(C)c(C(C)(C)O)c1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol?
The InChIKey is GXCQEIVAZRFMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-11-8-13(10-15(3,4)5)12(2)14(9-11)16(6,7)17/h8-9,17H,10H2,1-7H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol?
2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol has a molecular weight of 234.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol is sourced from PubChem (CID 163600414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).