3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol

C12H18O5 — CID 82850808

IUPAC3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
SMILESCOc1ccc(C(C)O)c(OCC(O)CO)c1
InChIInChI=1S/C12H18O5/c1-8(14)11-4-3-10(16-2)5-12(11)17-7-9(15)6-13/h3-5,8-9,13-15H,6-7H2,1-2H3
InChIKeyTUQAOJZWSFGZMM-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.48
Rot. Bonds6

About 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol

3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol (PubChem CID 82850808) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
PubChem CID82850808
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
SMILESCOc1ccc(C(C)O)c(OCC(O)CO)c1
InChIInChI=1S/C12H18O5/c1-8(14)11-4-3-10(16-2)5-12(11)17-7-9(15)6-13/h3-5,8-9,13-15H,6-7H2,1-2H3
InChIKeyTUQAOJZWSFGZMM-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

3-[2-[1-(ethylamino)ethyl]-5-methoxyphenoxy]propane-1,2-diol
CID 82850774
1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001163
3-(2-amino-5-methoxyphenoxy)propane-1,2-diol
CID 102702275
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
3-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]propane-1,2-diol
CID 82849319
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol (CID 82850808) is 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol is COc1ccc(C(C)O)c(OCC(O)CO)c1.
What is the InChIKey of 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol?
The InChIKey is TUQAOJZWSFGZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-8(14)11-4-3-10(16-2)5-12(11)17-7-9(15)6-13/h3-5,8-9,13-15H,6-7H2,1-2H3.
What are the key properties of 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol?
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol 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 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol is sourced from PubChem (CID 82850808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).