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

C14H22O2 — CID 65091903

IUPAC1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1cc(C)ccc1C
InChIInChI=1S/C14H22O2/c1-11-6-7-12(2)13(9-11)10-14(15)5-4-8-16-3/h6-7,9,14-15H,4-5,8,10H2,1-3H3
InChIKeyUSAPURWHNWJDGH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.63
Rot. Bonds6

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

1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol (PubChem CID 65091903) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
PubChem CID65091903
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1cc(C)ccc1C
InChIInChI=1S/C14H22O2/c1-11-6-7-12(2)13(9-11)10-14(15)5-4-8-16-3/h6-7,9,14-15H,4-5,8,10H2,1-3H3
InChIKeyUSAPURWHNWJDGH-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
CID 115830018
1-(2,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 65092524
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine
CID 112754817
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
1-(2-fluorophenyl)-5-methoxypentan-2-ol
CID 62606164
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
4-(2,5-dimethylphenyl)-3-hydroxybutanenitrile
CID 82075422
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
CID 65092198

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol (CID 65091903) is 1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol is COCCCC(O)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol?
The InChIKey is USAPURWHNWJDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11-6-7-12(2)13(9-11)10-14(15)5-4-8-16-3/h6-7,9,14-15H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol?
1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-5-methoxypentan-2-ol is sourced from PubChem (CID 65091903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).