1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol

C13H20O4 — CID 63929877

IUPAC1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
SMILESCCC(O)c1ccccc1OCC(O)COC
InChIInChI=1S/C13H20O4/c1-3-12(15)11-6-4-5-7-13(11)17-9-10(14)8-16-2/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyBQOBOISPLWXOHW-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.52
Rot. Bonds7

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

1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol (PubChem CID 63929877) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
PubChem CID63929877
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol
SMILESCCC(O)c1ccccc1OCC(O)COC
InChIInChI=1S/C13H20O4/c1-3-12(15)11-6-4-5-7-13(11)17-9-10(14)8-16-2/h4-7,10,12,14-15H,3,8-9H2,1-2H3
InChIKeyBQOBOISPLWXOHW-UHFFFAOYSA-N
XLogP1.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 63931772
1-cyclopentyl-3-[2-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 103158943
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
1-[2-(1-aminopropyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106988424
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol (CID 63929877) is 1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol is CCC(O)c1ccccc1OCC(O)COC.
What is the InChIKey of 1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol?
The InChIKey is BQOBOISPLWXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-12(15)11-6-4-5-7-13(11)17-9-10(14)8-16-2/h4-7,10,12,14-15H,3,8-9H2,1-2H3.
What are the key properties of 1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol?
1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxypropyl)phenoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 63929877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).