1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol

C14H22O6 — CID 57026008

IUPAC1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol
SMILESCC(O)OC(O)Cc1ccccc1CC(O)OC(C)O
InChIInChI=1S/C14H22O6/c1-9(15)19-13(17)7-11-5-3-4-6-12(11)8-14(18)20-10(2)16/h3-6,9-10,13-18H,7-8H2,1-2H3
InChIKeyJZXMVJSBMSAGDP-UHFFFAOYSA-N
MW286.32 g/mol
LogP0.12
Rot. Bonds8

About 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol

1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol (PubChem CID 57026008) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol.

Molecular Properties

Compound Name1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol
PubChem CID57026008
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol
SMILESCC(O)OC(O)Cc1ccccc1CC(O)OC(C)O
InChIInChI=1S/C14H22O6/c1-9(15)19-13(17)7-11-5-3-4-6-12(11)8-14(18)20-10(2)16/h3-6,9-10,13-18H,7-8H2,1-2H3
InChIKeyJZXMVJSBMSAGDP-UHFFFAOYSA-N
XLogP0.12
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol?
The IUPAC name of 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol (CID 57026008) is 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol.
What is the SMILES notation for 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol?
The canonical SMILES for 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol is CC(O)OC(O)Cc1ccccc1CC(O)OC(C)O.
What is the InChIKey of 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol?
The InChIKey is JZXMVJSBMSAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-9(15)19-13(17)7-11-5-3-4-6-12(11)8-14(18)20-10(2)16/h3-6,9-10,13-18H,7-8H2,1-2H3.
What are the key properties of 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol?
1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol has a molecular weight of 286.32 g/mol, XLogP of 0.12, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethoxy)-2-[2-[2-hydroxy-2-(1-hydroxyethoxy)ethyl]phenyl]ethanol is sourced from PubChem (CID 57026008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).