(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol

C12H18O4 — CID 78931201

IUPAC(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCCOCCO
InChIInChI=1S/C12H18O4/c1-10(14)11-4-2-3-5-12(11)16-9-8-15-7-6-13/h2-5,10,13-14H,6-9H2,1H3/t10-/m0/s1
InChIKeyWSJNBSRXCQZULQ-JTQLQIEISA-N
MW226.27 g/mol
LogP1.13
Rot. Bonds7

About (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol

(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol (PubChem CID 78931201) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
PubChem CID78931201
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCCOCCO
InChIInChI=1S/C12H18O4/c1-10(14)11-4-2-3-5-12(11)16-9-8-15-7-6-13/h2-5,10,13-14H,6-9H2,1H3/t10-/m0/s1
InChIKeyWSJNBSRXCQZULQ-JTQLQIEISA-N
XLogP1.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
CID 106453765
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-(2-propoxyphenyl)ethanol
CID 43503976
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 61491136
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol (CID 78931201) is (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol is C[C@H](O)c1ccccc1OCCOCCO.
What is the InChIKey of (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol?
The InChIKey is WSJNBSRXCQZULQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18O4/c1-10(14)11-4-2-3-5-12(11)16-9-8-15-7-6-13/h2-5,10,13-14H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol?
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol has a molecular weight of 226.27 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol is sourced from PubChem (CID 78931201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).