1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol

C18H30O6 — CID 139698251

IUPAC1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
SMILESCC(O)COCCOc1ccc(CCOCC(C)O)c(CCO)c1
InChIInChI=1S/C18H30O6/c1-14(20)12-22-8-6-16-3-4-18(11-17(16)5-7-19)24-10-9-23-13-15(2)21/h3-4,11,14-15,19-21H,5-10,12-13H2,1-2H3
InChIKeyLGZVOUWKKUVHIN-UHFFFAOYSA-N
MW342.43 g/mol
LogP0.94
Rot. Bonds13

About 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol

1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol (PubChem CID 139698251) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
PubChem CID139698251
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol
SMILESCC(O)COCCOc1ccc(CCOCC(C)O)c(CCO)c1
InChIInChI=1S/C18H30O6/c1-14(20)12-22-8-6-16-3-4-18(11-17(16)5-7-19)24-10-9-23-13-15(2)21/h3-4,11,14-15,19-21H,5-10,12-13H2,1-2H3
InChIKeyLGZVOUWKKUVHIN-UHFFFAOYSA-N
XLogP0.94
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol?
The IUPAC name of 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol (CID 139698251) is 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol is CC(O)COCCOc1ccc(CCOCC(C)O)c(CCO)c1.
What is the InChIKey of 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol?
The InChIKey is LGZVOUWKKUVHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-14(20)12-22-8-6-16-3-4-18(11-17(16)5-7-19)24-10-9-23-13-15(2)21/h3-4,11,14-15,19-21H,5-10,12-13H2,1-2H3.
What are the key properties of 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol?
1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol has a molecular weight of 342.43 g/mol, XLogP of 0.94, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-hydroxyethyl)-4-[2-(2-hydroxypropoxy)ethoxy]phenyl]ethoxy]propan-2-ol is sourced from PubChem (CID 139698251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).