3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol

C12H18O4 — CID 175226142

IUPAC3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
SMILESCCOCC(O)C(O)c1cccc(OC)c1
InChIInChI=1S/C12H18O4/c1-3-16-8-11(13)12(14)9-5-4-6-10(7-9)15-2/h4-7,11-14H,3,8H2,1-2H3
InChIKeyLCSWEJIWPWFMCG-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.13
Rot. Bonds6

About 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol

3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol (PubChem CID 175226142) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
PubChem CID175226142
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
SMILESCCOCC(O)C(O)c1cccc(OC)c1
InChIInChI=1S/C12H18O4/c1-3-16-8-11(13)12(14)9-5-4-6-10(7-9)15-2/h4-7,11-14H,3,8H2,1-2H3
InChIKeyLCSWEJIWPWFMCG-UHFFFAOYSA-N
XLogP1.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 171871929
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-methoxy-3-[1-[2-(3-methoxyphenyl)-3-methylbutoxy]-3-methylbutan-2-yl]benzene
CID 174421855
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
3-bromo-1-(3-ethoxyphenyl)propane-1,2-diol
CID 171859918
1-(3-methoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82314283
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol?
The IUPAC name of 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol (CID 175226142) is 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol is CCOCC(O)C(O)c1cccc(OC)c1.
What is the InChIKey of 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol?
The InChIKey is LCSWEJIWPWFMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-16-8-11(13)12(14)9-5-4-6-10(7-9)15-2/h4-7,11-14H,3,8H2,1-2H3.
What are the key properties of 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol?
3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol has a molecular weight of 226.27 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 175226142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).