1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol

C12H18O5 — CID 170819078

IUPAC1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
SMILESCCOc1cc(C(O)C(O)CO)ccc1OC
InChIInChI=1S/C12H18O5/c1-3-17-11-6-8(4-5-10(11)16-2)12(15)9(14)7-13/h4-6,9,12-15H,3,7H2,1-2H3
InChIKeyGSSOZZFJMBHYJJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.48
Rot. Bonds6

About 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol

1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol (PubChem CID 170819078) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
PubChem CID170819078
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
SMILESCCOc1cc(C(O)C(O)CO)ccc1OC
InChIInChI=1S/C12H18O5/c1-3-17-11-6-8(4-5-10(11)16-2)12(15)9(14)7-13/h4-6,9,12-15H,3,7H2,1-2H3
InChIKeyGSSOZZFJMBHYJJ-UHFFFAOYSA-N
XLogP0.48
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859184
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825210
3-chloro-1-(3,4-diethoxyphenyl)propane-1,2-diol
CID 171863308
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
CID 170817978
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391240
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825209

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol (CID 170819078) is 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol is CCOc1cc(C(O)C(O)CO)ccc1OC.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol?
The InChIKey is GSSOZZFJMBHYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-3-17-11-6-8(4-5-10(11)16-2)12(15)9(14)7-13/h4-6,9,12-15H,3,7H2,1-2H3.
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol?
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol has a molecular weight of 242.27 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170819078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).