1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol

C13H20O4 — CID 78954639

IUPAC1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C13H20O4/c1-3-16-8-12(15)9-17-13-6-4-11(5-7-13)10(2)14/h4-7,10,12,14-15H,3,8-9H2,1-2H3/t10-,12?/m1/s1
InChIKeyWHXSVYUJQRYLPZ-RWANSRKNSA-N
MW240.30 g/mol
LogP1.52
Rot. Bonds7

About 1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol

1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol (PubChem CID 78954639) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
PubChem CID78954639
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
SMILESCCOCC(O)COc1ccc([C@@H](C)O)cc1
InChIInChI=1S/C13H20O4/c1-3-16-8-12(15)9-17-13-6-4-11(5-7-13)10(2)14/h4-7,10,12,14-15H,3,8-9H2,1-2H3/t10-,12?/m1/s1
InChIKeyWHXSVYUJQRYLPZ-RWANSRKNSA-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

(1S)-1-[4-(3-ethoxypropoxy)phenyl]ethanol
CID 65175040
(1S)-1-[4-(2,2-diethoxyethoxy)phenyl]ethanol
CID 104928926
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
1-cyclopentyl-3-[4-(1-hydroxyethyl)phenoxy]propan-2-ol
CID 103158944
1-ethoxy-3-[4-[(2E)-2-hydroxyiminopropyl]phenoxy]propan-2-ol
CID 115495613
4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one
CID 63932166
1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
CID 114265284
1-[4-(aminomethyl)phenoxy]-3-(2-ethoxyethoxy)propan-2-ol
CID 43531533
1-butoxy-3-[4-(1-hydroxypropyl)phenoxy]propan-2-ol
CID 107263390
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 107263420
1-(4-chloro-3-fluorophenoxy)-3-ethoxypropan-2-ol
CID 167967220

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol (CID 78954639) is 1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol is CCOCC(O)COc1ccc([C@@H](C)O)cc1.
What is the InChIKey of 1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
The InChIKey is WHXSVYUJQRYLPZ-RWANSRKNSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-16-8-12(15)9-17-13-6-4-11(5-7-13)10(2)14/h4-7,10,12,14-15H,3,8-9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of 1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol?
1-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-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-ethoxy-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 78954639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).