(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol

C13H20O5 — CID 82001346

IUPAC(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCOCCO)c1
InChIInChI=1S/C13H20O5/c1-10(15)12-4-3-11(16-2)9-13(12)18-8-7-17-6-5-14/h3-4,9-10,14-15H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyAYHQUTPMSVDKCB-SNVBAGLBSA-N
MW256.30 g/mol
LogP1.14
Rot. Bonds8

About (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol

(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol (PubChem CID 82001346) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
PubChem CID82001346
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](C)O)c(OCCOCCO)c1
InChIInChI=1S/C13H20O5/c1-10(15)12-4-3-11(16-2)9-13(12)18-8-7-17-6-5-14/h3-4,9-10,14-15H,5-8H2,1-2H3/t10-/m1/s1
InChIKeyAYHQUTPMSVDKCB-SNVBAGLBSA-N
XLogP1.14
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
CID 106450545
(1S)-1-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]ethanol
CID 78931201
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propane-1,2-diol
CID 82850808
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol?
The IUPAC name of (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol (CID 82001346) is (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol is COc1ccc([C@@H](C)O)c(OCCOCCO)c1.
What is the InChIKey of (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol?
The InChIKey is AYHQUTPMSVDKCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20O5/c1-10(15)12-4-3-11(16-2)9-13(12)18-8-7-17-6-5-14/h3-4,9-10,14-15H,5-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol?
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol has a molecular weight of 256.30 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82001346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).