2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol

C18H20O5 — CID 158770285

IUPAC2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2OC2c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C18H20O5/c19-9-11-21-15-5-1-13(2-6-15)17-18(23-17)14-3-7-16(8-4-14)22-12-10-20/h1-8,17-20H,9-12H2
InChIKeyIPTVUBPNZNWJBQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.24
Rot. Bonds8

About 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol

2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol (PubChem CID 158770285) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol
PubChem CID158770285
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol
SMILESOCCOc1ccc(C2OC2c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C18H20O5/c19-9-11-21-15-5-1-13(2-6-15)17-18(23-17)14-3-7-16(8-4-14)22-12-10-20/h1-8,17-20H,9-12H2
InChIKeyIPTVUBPNZNWJBQ-UHFFFAOYSA-N
XLogP2.24
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 162335780
CID 162335780
CID 90413070
CID 90413070
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-9H-fluoren-9-yl]phenoxy]ethanol
CID 172703664
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
2-[4-(1-bromo-2-methylprop-1-enyl)phenoxy]ethanol
CID 15122292
2-(4-dimethylboranylphenoxy)ethanol
CID 58852404
2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol
CID 139605342
bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
CID 102448547
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
formic acid;2-phenoxyethanol
CID 71438669

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol (CID 158770285) is 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol is OCCOc1ccc(C2OC2c2ccc(OCCO)cc2)cc1.
What is the InChIKey of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol?
The InChIKey is IPTVUBPNZNWJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c19-9-11-21-15-5-1-13(2-6-15)17-18(23-17)14-3-7-16(8-4-14)22-12-10-20/h1-8,17-20H,9-12H2.
What are the key properties of 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol?
2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol has a molecular weight of 316.35 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(2-hydroxyethoxy)phenyl]oxiran-2-yl]phenoxy]ethanol is sourced from PubChem (CID 158770285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).