2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol

C19H20F4O4 — CID 139831995

IUPAC2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol
SMILESCC(C)(c1cc(F)c(OCCO)c(F)c1)c1cc(F)c(OCCO)c(F)c1
InChIInChI=1S/C19H20F4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3
InChIKeyNUXWRKOYALMQSR-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.31
Rot. Bonds8

About 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol

2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol (PubChem CID 139831995) has the molecular formula C19H20F4O4 and a molecular weight of 388.36 g/mol. Its IUPAC name is 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol
PubChem CID139831995
Molecular FormulaC19H20F4O4
Molecular Weight388.36 g/mol
Exact Mass388.13
IUPAC Name2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol
SMILESCC(C)(c1cc(F)c(OCCO)c(F)c1)c1cc(F)c(OCCO)c(F)c1
InChIInChI=1S/C19H20F4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3
InChIKeyNUXWRKOYALMQSR-UHFFFAOYSA-N
XLogP3.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]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

2-[2-bromo-4-[2-[3-bromo-4-(2-hydroxyethoxy)-5-propan-2-ylphenyl]propan-2-yl]-6-propan-2-ylphenoxy]ethanol
CID 176584525
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
[4-[2-(3,5-difluoro-4-methylsulfonyloxyphenyl)propan-2-yl]-2,6-difluorophenyl] methanesulfonate
CID 22572234
2-[4-[2-[4-(2-hydroxyethoxy)-3,5-di(quinolin-8-yl)phenyl]propan-2-yl]-2,6-di(quinolin-8-yl)phenoxy]ethanol
CID 174196840
2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 79891777
1-[5-bromo-3-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
CID 86788128
2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol
CID 79887012
3,5-difluoro-4-(5-hydroxypentoxy)benzoic acid
CID 114216632
6-[5-[2-[3,5-bis(6-cyanonaphthalen-2-yl)-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-3-(6-cyanonaphthalen-2-yl)-2-(2-hydroxyethoxy)phenyl]naphthalene-2-carbonitrile
CID 174196801
6-[2,6-difluoro-4-(hydroxymethyl)phenoxy]hexan-1-ol
CID 107704167
4-[3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]phenol
CID 137435794
2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]ethanol
CID 21257879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol?
The IUPAC name of 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol (CID 139831995) is 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol?
The canonical SMILES for 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol is CC(C)(c1cc(F)c(OCCO)c(F)c1)c1cc(F)c(OCCO)c(F)c1.
What is the InChIKey of 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol?
The InChIKey is NUXWRKOYALMQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3.
What are the key properties of 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol?
2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol has a molecular weight of 388.36 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-difluoro-4-(2-hydroxyethoxy)phenyl]propan-2-yl]-2,6-difluorophenoxy]ethanol is sourced from PubChem (CID 139831995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).