1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol

C15H24O — CID 65148482

IUPAC1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
SMILESCc1ccc(C)c(C(O)CCC(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-11-6-7-12(2)13(10-11)14(16)8-9-15(3,4)5/h6-7,10,14,16H,8-9H2,1-5H3
InChIKeyLITWSTCUEYSXRQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.16
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol

1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol (PubChem CID 65148482) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
PubChem CID65148482
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
SMILESCc1ccc(C)c(C(O)CCC(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-11-6-7-12(2)13(10-11)14(16)8-9-15(3,4)5/h6-7,10,14,16H,8-9H2,1-5H3
InChIKeyLITWSTCUEYSXRQ-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 62608573
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
CID 62774526
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
4-(2,5-dimethylphenyl)-4-hydroxybutanamide
CID 82112992
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
[1-(2,4-dimethylphenyl)-4,4-dimethylpentyl]hydrazine
CID 105299952
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol (CID 65148482) is 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol is Cc1ccc(C)c(C(O)CCC(C)(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol?
The InChIKey is LITWSTCUEYSXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-7-12(2)13(10-11)14(16)8-9-15(3,4)5/h6-7,10,14,16H,8-9H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol?
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 65148482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).