2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane

C14H24O3 — CID 145081658

IUPAC2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
SMILESCC.COc1cc(C(C)(C)O)c(OC)cc1C
InChIInChI=1S/C12H18O3.C2H6/c1-8-6-11(15-5)9(12(2,3)13)7-10(8)14-4;1-2/h6-7,13H,1-5H3;1-2H3
InChIKeyUDLFPIRIDZLHAD-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.27
Rot. Bonds3

About 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane

2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane (PubChem CID 145081658) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
PubChem CID145081658
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
SMILESCC.COc1cc(C(C)(C)O)c(OC)cc1C
InChIInChI=1S/C12H18O3.C2H6/c1-8-6-11(15-5)9(12(2,3)13)7-10(8)14-4;1-2/h6-7,13H,1-5H3;1-2H3
InChIKeyUDLFPIRIDZLHAD-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
1,2-ditert-butyl-4-methoxy-5-methylbenzene
CID 90688741
2-(4,5-difluoro-2-methoxyphenyl)propan-2-ol
CID 84670502
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-3-methylbutan-2-ol
CID 114228362
2-(5-ethoxy-2-methoxy-4-methylphenyl)-2-methylpropan-1-ol
CID 117349596
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117379543

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane?
The IUPAC name of 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane (CID 145081658) is 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane.
What is the SMILES notation for 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane?
The canonical SMILES for 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane is CC.COc1cc(C(C)(C)O)c(OC)cc1C.
What is the InChIKey of 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane?
The InChIKey is UDLFPIRIDZLHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3.C2H6/c1-8-6-11(15-5)9(12(2,3)13)7-10(8)14-4;1-2/h6-7,13H,1-5H3;1-2H3.
What are the key properties of 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane?
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane has a molecular weight of 240.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane is sourced from PubChem (CID 145081658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).