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

C14H22O2 — CID 105083992

IUPAC1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1cc(C)ccc1C
InChIInChI=1S/C14H22O2/c1-10-5-6-11(2)13(9-10)14(15)8-7-12(3)16-4/h5-6,9,12,14-15H,7-8H2,1-4H3
InChIKeyBMJAAYFLHDWZJW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds5

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

1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol (PubChem CID 105083992) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
PubChem CID105083992
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
SMILESCOC(C)CCC(O)c1cc(C)ccc1C
InChIInChI=1S/C14H22O2/c1-10-5-6-11(2)13(9-10)14(15)8-7-12(3)16-4/h5-6,9,12,14-15H,7-8H2,1-4H3
InChIKeyBMJAAYFLHDWZJW-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
4-(2,5-dimethylphenyl)-4-hydroxybutanamide
CID 82112992
1-(2,4-dimethylphenyl)-4-methoxypentan-1-amine
CID 105145329
1-(2,5-dimethylphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 104564698
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
CID 59492308
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
2-(2,5-dimethylphenyl)hexan-3-ol
CID 83050609
1-(5-fluoro-2-methylphenyl)-4-methylpentan-1-ol
CID 62606774
4-methoxy-1-(2-propan-2-yloxyphenyl)pentan-1-ol
CID 105116940

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol (CID 105083992) is 1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol is COC(C)CCC(O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol?
The InChIKey is BMJAAYFLHDWZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-5-6-11(2)13(9-10)14(15)8-7-12(3)16-4/h5-6,9,12,14-15H,7-8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol?
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol is sourced from PubChem (CID 105083992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).