1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol

C13H20O4 — CID 82001084

IUPAC1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
SMILESCCOCCOc1cc(OC)ccc1C(C)O
InChIInChI=1S/C13H20O4/c1-4-16-7-8-17-13-9-11(15-3)5-6-12(13)10(2)14/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyQHRCKVGVAZUCSS-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.16
Rot. Bonds7

About 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol

1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol (PubChem CID 82001084) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
PubChem CID82001084
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
SMILESCCOCCOc1cc(OC)ccc1C(C)O
InChIInChI=1S/C13H20O4/c1-4-16-7-8-17-13-9-11(15-3)5-6-12(13)10(2)14/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyQHRCKVGVAZUCSS-UHFFFAOYSA-N
XLogP2.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]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

(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylacetamide
CID 82002018
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol?
The IUPAC name of 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol (CID 82001084) is 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol is CCOCCOc1cc(OC)ccc1C(C)O.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol?
The InChIKey is QHRCKVGVAZUCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-4-16-7-8-17-13-9-11(15-3)5-6-12(13)10(2)14/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol?
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol has a molecular weight of 240.30 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 82001084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).