(2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol

C25H35ClO6 — CID 159008293

IUPAC(2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(c1ccc(OCCOCCOCCO)cc1)c1ccc(OC[C@@](C)(O)CCl)cc1
InChIInChI=1S/C25H35ClO6/c1-24(2,21-6-10-23(11-7-21)32-19-25(3,28)18-26)20-4-8-22(9-5-20)31-17-16-30-15-14-29-13-12-27/h4-11,27-28H,12-19H2,1-3H3/t25-/m0/s1
InChIKeyJSERQKBLJBSOPF-VWLOTQADSA-N
MW467.00 g/mol
LogP3.79
Rot. Bonds15

About (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol

(2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol (PubChem CID 159008293) has the molecular formula C25H35ClO6 and a molecular weight of 467.00 g/mol. Its IUPAC name is (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol
PubChem CID159008293
Molecular FormulaC25H35ClO6
Molecular Weight467.00 g/mol
Exact Mass466.21
IUPAC Name(2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol
SMILESCC(C)(c1ccc(OCCOCCOCCO)cc1)c1ccc(OC[C@@](C)(O)CCl)cc1
InChIInChI=1S/C25H35ClO6/c1-24(2,21-6-10-23(11-7-21)32-19-25(3,28)18-26)20-4-8-22(9-5-20)31-17-16-30-15-14-29-13-12-27/h4-11,27-28H,12-19H2,1-3H3/t25-/m0/s1
InChIKeyJSERQKBLJBSOPF-VWLOTQADSA-N
XLogP3.79
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.00
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 176854878
2-[2-[2-[4-[2-[4-[(2S)-3-chloro-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 90381443
(2R)-1-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]butan-2-ol
CID 90381423
2-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 71322665
2-[2-[2-(2-hydroxyethoxy)ethoxy]-5-[2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]propan-2-yl]phenyl]ethanol
CID 19034540
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
sodium;3-bromoprop-1-yne;2-[2-[2-[4-[2-[4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethoxy]ethanol;1-(3-chloropropoxy)-4-[2-[4-[2-[2-(prop-2-ynoxymethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]benzene;hydride
CID 157242215
1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
CID 63665426
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925879
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925878
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(3-methyloctan-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100925876

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol?
The IUPAC name of (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol (CID 159008293) is (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol is CC(C)(c1ccc(OCCOCCOCCO)cc1)c1ccc(OC[C@@](C)(O)CCl)cc1.
What is the InChIKey of (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol?
The InChIKey is JSERQKBLJBSOPF-VWLOTQADSA-N. The full InChI is InChI=1S/C25H35ClO6/c1-24(2,21-6-10-23(11-7-21)32-19-25(3,28)18-26)20-4-8-22(9-5-20)31-17-16-30-15-14-29-13-12-27/h4-11,27-28H,12-19H2,1-3H3/t25-/m0/s1.
What are the key properties of (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol?
(2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol has a molecular weight of 467.00 g/mol, XLogP of 3.79, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-[4-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 159008293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).