3-(4-ethoxyphenoxy)-2-methylpropan-1-ol

C12H18O3 — CID 112507833

IUPAC3-(4-ethoxyphenoxy)-2-methylpropan-1-ol
SMILESCCOc1ccc(OCC(C)CO)cc1
InChIInChI=1S/C12H18O3/c1-3-14-11-4-6-12(7-5-11)15-9-10(2)8-13/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyZCTGXBKLOLOIIQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.09
Rot. Bonds6

About 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol

3-(4-ethoxyphenoxy)-2-methylpropan-1-ol (PubChem CID 112507833) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-2-methylpropan-1-ol
PubChem CID112507833
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-(4-ethoxyphenoxy)-2-methylpropan-1-ol
SMILESCCOc1ccc(OCC(C)CO)cc1
InChIInChI=1S/C12H18O3/c1-3-14-11-4-6-12(7-5-11)15-9-10(2)8-13/h4-7,10,13H,3,8-9H2,1-2H3
InChIKeyZCTGXBKLOLOIIQ-UHFFFAOYSA-N
XLogP2.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-3-[4-(4-octoxyphenyl)phenoxy]propan-1-ol
CID 54305802
3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892
3-(4-chloro-3-fluorophenoxy)-2-methylpropan-1-ol
CID 115871138
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
4-[(2S)-2-methylbutoxy]phenol
CID 1490310
(2S)-3-[4-(6-chloropyridazin-3-yl)phenoxy]-2-methylpropan-1-ol
CID 58034225
1-(2,2-diethoxyethoxy)-4-ethoxybenzene
CID 63629434
4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 112507798
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243
1-[2-(bromomethyl)-3-methylbutoxy]-4-ethoxybenzene
CID 65011648
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
[4-(2-methylbutoxy)phenyl]boronic acid
CID 62104576

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol (CID 112507833) is 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol is CCOc1ccc(OCC(C)CO)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol?
The InChIKey is ZCTGXBKLOLOIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-14-11-4-6-12(7-5-11)15-9-10(2)8-13/h4-7,10,13H,3,8-9H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol?
3-(4-ethoxyphenoxy)-2-methylpropan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 112507833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).