1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol

C15H24O — CID 63016045

IUPAC1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H24O/c1-5-13(6-2)15(16)10-14-9-11(3)7-8-12(14)4/h7-9,13,15-16H,5-6,10H2,1-4H3
InChIKeyAOBNSIDOFRQGMI-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.64
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol

1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol (PubChem CID 63016045) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
PubChem CID63016045
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H24O/c1-5-13(6-2)15(16)10-14-9-11(3)7-8-12(14)4/h7-9,13,15-16H,5-6,10H2,1-4H3
InChIKeyAOBNSIDOFRQGMI-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
CID 79496432
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
1-(2,5-dimethylphenyl)hexane-3,4-diol
CID 83928188
1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
CID 116711445
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene
CID 63559949
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol (CID 63016045) is 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol is CCC(CC)C(O)Cc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol?
The InChIKey is AOBNSIDOFRQGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-13(6-2)15(16)10-14-9-11(3)7-8-12(14)4/h7-9,13,15-16H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol?
1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol is sourced from PubChem (CID 63016045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).