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

C14H22O3 — CID 106453765

IUPAC(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
SMILESCC(C)COCCOc1ccccc1[C@H](C)O
InChIInChI=1S/C14H22O3/c1-11(2)10-16-8-9-17-14-7-5-4-6-13(14)12(3)15/h4-7,11-12,15H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyWMYYJCSOSRBDJX-LBPRGKRZSA-N
MW238.33 g/mol
LogP2.79
Rot. Bonds7

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

(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol (PubChem CID 106453765) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
PubChem CID106453765
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol
SMILESCC(C)COCCOc1ccccc1[C@H](C)O
InChIInChI=1S/C14H22O3/c1-11(2)10-16-8-9-17-14-7-5-4-6-13(14)12(3)15/h4-7,11-12,15H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyWMYYJCSOSRBDJX-LBPRGKRZSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
1-(2-propoxyphenyl)ethanol
CID 43503976
(1S)-1-[2-(2-hydroxyethoxy)phenyl]ethanol
CID 78931625
N-ethyl-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106447883
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264
(1R)-1-[2-(3-fluoropropoxy)phenyl]ethanol
CID 81114221
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
5-[2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364920
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol (CID 106453765) is (1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol is CC(C)COCCOc1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol?
The InChIKey is WMYYJCSOSRBDJX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22O3/c1-11(2)10-16-8-9-17-14-7-5-4-6-13(14)12(3)15/h4-7,11-12,15H,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol?
(1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanol is sourced from PubChem (CID 106453765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).