1-(2,5-dimethylphenyl)-6-methylheptan-2-ol

C16H26O — CID 115830018

IUPAC1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
SMILESCc1ccc(C)c(CC(O)CCCC(C)C)c1
InChIInChI=1S/C16H26O/c1-12(2)6-5-7-16(17)11-15-10-13(3)8-9-14(15)4/h8-10,12,16-17H,5-7,11H2,1-4H3
InChIKeyBKEDEHIUWMUJNF-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.03
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol

1-(2,5-dimethylphenyl)-6-methylheptan-2-ol (PubChem CID 115830018) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
PubChem CID115830018
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
SMILESCc1ccc(C)c(CC(O)CCCC(C)C)c1
InChIInChI=1S/C16H26O/c1-12(2)6-5-7-16(17)11-15-10-13(3)8-9-14(15)4/h8-10,12,16-17H,5-7,11H2,1-4H3
InChIKeyBKEDEHIUWMUJNF-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
CID 65091903
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
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1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572
1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135661
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
4-(2,5-dimethylphenyl)-3-hydroxybutanenitrile
CID 82075422
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
1-(2,5-dimethylphenyl)-3-methylsulfonylpropan-2-ol
CID 62472724
1-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027828
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol (CID 115830018) is 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol is Cc1ccc(C)c(CC(O)CCCC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol?
The InChIKey is BKEDEHIUWMUJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-12(2)6-5-7-16(17)11-15-10-13(3)8-9-14(15)4/h8-10,12,16-17H,5-7,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol?
1-(2,5-dimethylphenyl)-6-methylheptan-2-ol has a molecular weight of 234.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-6-methylheptan-2-ol is sourced from PubChem (CID 115830018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).