2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol

C10H13ClO4 — CID 54038432

IUPAC2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol
SMILESOCCOc1cc(Cl)cc(OCCO)c1
InChIInChI=1S/C10H13ClO4/c11-8-5-9(14-3-1-12)7-10(6-8)15-4-2-13/h5-7,12-13H,1-4H2
InChIKeyLKPWRKVJAWAQMB-UHFFFAOYSA-N
MW232.66 g/mol
LogP1.08
Rot. Bonds6

About 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol

2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol (PubChem CID 54038432) has the molecular formula C10H13ClO4 and a molecular weight of 232.66 g/mol. Its IUPAC name is 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol
PubChem CID54038432
Molecular FormulaC10H13ClO4
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol
SMILESOCCOc1cc(Cl)cc(OCCO)c1
InChIInChI=1S/C10H13ClO4/c11-8-5-9(14-3-1-12)7-10(6-8)15-4-2-13/h5-7,12-13H,1-4H2
InChIKeyLKPWRKVJAWAQMB-UHFFFAOYSA-N
XLogP1.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol?
The IUPAC name of 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol (CID 54038432) is 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol.
What is the SMILES notation for 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol?
The canonical SMILES for 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol is OCCOc1cc(Cl)cc(OCCO)c1.
What is the InChIKey of 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol?
The InChIKey is LKPWRKVJAWAQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO4/c11-8-5-9(14-3-1-12)7-10(6-8)15-4-2-13/h5-7,12-13H,1-4H2.
What are the key properties of 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol?
2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol has a molecular weight of 232.66 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol is sourced from PubChem (CID 54038432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).