1-(2-ethoxyphenoxy)butan-2-ol

C12H18O3 — CID 60878017

IUPAC1-(2-ethoxyphenoxy)butan-2-ol
SMILESCCOc1ccccc1OCC(O)CC
InChIInChI=1S/C12H18O3/c1-3-10(13)9-15-12-8-6-5-7-11(12)14-4-2/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyCLHFVCARYZNPSN-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.23
Rot. Bonds6

About 1-(2-ethoxyphenoxy)butan-2-ol

1-(2-ethoxyphenoxy)butan-2-ol (PubChem CID 60878017) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2-ethoxyphenoxy)butan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyphenoxy)butan-2-ol
PubChem CID60878017
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(2-ethoxyphenoxy)butan-2-ol
SMILESCCOc1ccccc1OCC(O)CC
InChIInChI=1S/C12H18O3/c1-3-10(13)9-15-12-8-6-5-7-11(12)14-4-2/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyCLHFVCARYZNPSN-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxybutoxy)phenol
CID 58593134
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 63931772
1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
CID 63934370
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
(2R)-1-[[(2R)-butan-2-yl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840939

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenoxy)butan-2-ol?
The IUPAC name of 1-(2-ethoxyphenoxy)butan-2-ol (CID 60878017) is 1-(2-ethoxyphenoxy)butan-2-ol.
What is the SMILES notation for 1-(2-ethoxyphenoxy)butan-2-ol?
The canonical SMILES for 1-(2-ethoxyphenoxy)butan-2-ol is CCOc1ccccc1OCC(O)CC.
What is the InChIKey of 1-(2-ethoxyphenoxy)butan-2-ol?
The InChIKey is CLHFVCARYZNPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-10(13)9-15-12-8-6-5-7-11(12)14-4-2/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenoxy)butan-2-ol?
1-(2-ethoxyphenoxy)butan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenoxy)butan-2-ol is sourced from PubChem (CID 60878017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).