2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol

C16H26O2 — CID 103035237

IUPAC2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol
SMILESCOC(C)(C)CCC(C)(O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H26O2/c1-12-9-13(2)11-14(10-12)16(5,17)8-7-15(3,4)18-6/h9-11,17H,7-8H2,1-6H3
InChIKeyBLFISIQGRBSEGS-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.72
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol

2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol (PubChem CID 103035237) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol
PubChem CID103035237
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol
SMILESCOC(C)(C)CCC(C)(O)c1cc(C)cc(C)c1
InChIInChI=1S/C16H26O2/c1-12-9-13(2)11-14(10-12)16(5,17)8-7-15(3,4)18-6/h9-11,17H,7-8H2,1-6H3
InChIKeyBLFISIQGRBSEGS-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,1-Diphenylethanol
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Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
2-Phenylbutan-2-ol
CID 15283
2,4,6-Trimethylbenzyl alcohol
CID 20139
fenipentol, (S)-
CID 6992754
3,5-Dimethylbenzyl alcohol
CID 33706

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol (CID 103035237) is 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol is COC(C)(C)CCC(C)(O)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol?
The InChIKey is BLFISIQGRBSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-12-9-13(2)11-14(10-12)16(5,17)8-7-15(3,4)18-6/h9-11,17H,7-8H2,1-6H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol?
2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol has a molecular weight of 250.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-methoxy-5-methylhexan-2-ol is sourced from PubChem (CID 103035237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).