1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol

C14H22O4 — CID 63931772

IUPAC1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccccc1C(O)CC
InChIInChI=1S/C14H22O4/c1-3-13(16)12-7-5-6-8-14(12)18-10-11(15)9-17-4-2/h5-8,11,13,15-16H,3-4,9-10H2,1-2H3
InChIKeyHKNRKRUAXGDDSU-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.91
Rot. Bonds8

About 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol

1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol (PubChem CID 63931772) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
PubChem CID63931772
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccccc1C(O)CC
InChIInChI=1S/C14H22O4/c1-3-13(16)12-7-5-6-8-14(12)18-10-11(15)9-17-4-2/h5-8,11,13,15-16H,3-4,9-10H2,1-2H3
InChIKeyHKNRKRUAXGDDSU-UHFFFAOYSA-N
XLogP1.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
CID 63929877
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
CID 63934370
1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 103158943
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol (CID 63931772) is 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol is CCOCC(O)COc1ccccc1C(O)CC.
What is the InChIKey of 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol?
The InChIKey is HKNRKRUAXGDDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-13(16)12-7-5-6-8-14(12)18-10-11(15)9-17-4-2/h5-8,11,13,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol?
1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol is sourced from PubChem (CID 63931772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).