1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol

C13H20O4 — CID 63928842

IUPAC1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc(C)cc1[C@@H](C)O
InChIInChI=1S/C13H20O4/c1-9-4-5-13(12(6-9)10(2)14)17-8-11(15)7-16-3/h4-6,10-11,14-15H,7-8H2,1-3H3/t10-,11?/m1/s1
InChIKeyIEQJJUULXJVGFC-NFJWQWPMSA-N
MW240.30 g/mol
LogP1.43
Rot. Bonds6

About 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol

1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol (PubChem CID 63928842) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
PubChem CID63928842
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc(C)cc1[C@@H](C)O
InChIInChI=1S/C13H20O4/c1-9-4-5-13(12(6-9)10(2)14)17-8-11(15)7-16-3/h4-6,10-11,14-15H,7-8H2,1-3H3/t10-,11?/m1/s1
InChIKeyIEQJJUULXJVGFC-NFJWQWPMSA-N
XLogP1.43
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]propane-1,2-diol
CID 82849372
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide
CID 55190954
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
1-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988845
1-[4-chloro-2-(1-hydroxyethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991081
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol (CID 63928842) is 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol is COCC(O)COc1ccc(C)cc1[C@@H](C)O.
What is the InChIKey of 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol?
The InChIKey is IEQJJUULXJVGFC-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H20O4/c1-9-4-5-13(12(6-9)10(2)14)17-8-11(15)7-16-3/h4-6,10-11,14-15H,7-8H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol?
1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol has a molecular weight of 240.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 63928842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).