3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol

C20H36O2 — CID 159895945

IUPAC3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
SMILESCCC(C)(O)CCCC(C)C.CCC(C)(O)c1ccccc1
InChIInChI=1S/C10H14O.C10H22O/c1-3-10(2,11)9-7-5-4-6-8-9;1-5-10(4,11)8-6-7-9(2)3/h4-8,11H,3H2,1-2H3;9,11H,5-8H2,1-4H3
InChIKeyNVIPHYYBWXNBJB-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.28
Rot. Bonds7

About 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol

3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol (PubChem CID 159895945) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol.

Molecular Properties

Compound Name3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
PubChem CID159895945
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
SMILESCCC(C)(O)CCCC(C)C.CCC(C)(O)c1ccccc1
InChIInChI=1S/C10H14O.C10H22O/c1-3-10(2,11)9-7-5-4-6-8-9;1-5-10(4,11)8-6-7-9(2)3/h4-8,11H,3H2,1-2H3;9,11H,5-8H2,1-4H3
InChIKeyNVIPHYYBWXNBJB-UHFFFAOYSA-N
XLogP5.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
2-(4-fluorophenyl)-6-methylheptan-2-ol
CID 83158726
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
2-(2-bromophenyl)-6-methylheptan-2-ol
CID 83157247
1-(7-methyloctylamino)-2-phenylpropan-2-ol
CID 107815064
6-methyl-2,2-diphenylheptanoic acid
CID 141362939
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
6-phenylheptane-1,6-diol
CID 11310303
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol?
The IUPAC name of 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol (CID 159895945) is 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol.
What is the SMILES notation for 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol?
The canonical SMILES for 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol is CCC(C)(O)CCCC(C)C.CCC(C)(O)c1ccccc1.
What is the InChIKey of 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol?
The InChIKey is NVIPHYYBWXNBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C10H22O/c1-3-10(2,11)9-7-5-4-6-8-9;1-5-10(4,11)8-6-7-9(2)3/h4-8,11H,3H2,1-2H3;9,11H,5-8H2,1-4H3.
What are the key properties of 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol?
3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol has a molecular weight of 308.51 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol is sourced from PubChem (CID 159895945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).