2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol

C13H20O5 — CID 104658798

IUPAC2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
SMILESCOCCOc1ccccc1C(O)C(OC)OC
InChIInChI=1S/C13H20O5/c1-15-8-9-18-11-7-5-4-6-10(11)12(14)13(16-2)17-3/h4-7,12-14H,8-9H2,1-3H3
InChIKeyZJDBGBWWTMSMOX-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.36
Rot. Bonds8

About 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol

2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol (PubChem CID 104658798) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
PubChem CID104658798
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
SMILESCOCCOc1ccccc1C(O)C(OC)OC
InChIInChI=1S/C13H20O5/c1-15-8-9-18-11-7-5-4-6-10(11)12(14)13(16-2)17-3/h4-7,12-14H,8-9H2,1-3H3
InChIKeyZJDBGBWWTMSMOX-UHFFFAOYSA-N
XLogP1.36
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-ol
CID 116712323
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-ol
CID 105125505
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104659576
1-(3-chlorobutan-2-yl)-2-(2-methoxyethoxy)benzene
CID 104662451
2-methoxy-1-(2-propoxyphenyl)butan-1-ol
CID 116710813
1-[2-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410264

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol?
The IUPAC name of 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol (CID 104658798) is 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol.
What is the SMILES notation for 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol?
The canonical SMILES for 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol is COCCOc1ccccc1C(O)C(OC)OC.
What is the InChIKey of 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol?
The InChIKey is ZJDBGBWWTMSMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-15-8-9-18-11-7-5-4-6-10(11)12(14)13(16-2)17-3/h4-7,12-14H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol?
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol has a molecular weight of 256.30 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 104658798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).