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

C15H24O3 — CID 79496432

IUPAC3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
SMILESCCOC(OCC)C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H24O3/c1-5-17-15(18-6-2)14(16)10-13-9-11(3)7-8-12(13)4/h7-9,14-16H,5-6,10H2,1-4H3
InChIKeyIIZOWRALLGPWRX-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.61
Rot. Bonds7

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

3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol (PubChem CID 79496432) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
PubChem CID79496432
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol
SMILESCCOC(OCC)C(O)Cc1cc(C)ccc1C
InChIInChI=1S/C15H24O3/c1-5-17-15(18-6-2)14(16)10-13-9-11(3)7-8-12(13)4/h7-9,14-16H,5-6,10H2,1-4H3
InChIKeyIIZOWRALLGPWRX-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
CID 116711445
1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
CID 63016045
3-(2,5-dimethylphenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495019
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
CID 79496151
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-one
CID 79496033
3-(2,4-dichlorophenyl)-1,1-diethoxypropan-2-ol
CID 79496239
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712602
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 104661074
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116723227

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol?
The IUPAC name of 3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol (CID 79496432) is 3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol is CCOC(OCC)C(O)Cc1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol?
The InChIKey is IIZOWRALLGPWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-17-15(18-6-2)14(16)10-13-9-11(3)7-8-12(13)4/h7-9,14-16H,5-6,10H2,1-4H3.
What are the key properties of 3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol?
3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol has a molecular weight of 252.35 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-1,1-diethoxypropan-2-ol is sourced from PubChem (CID 79496432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).