1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol

C14H22O5 — CID 104658806

IUPAC1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol
SMILESCOCCOc1ccccc1C(C)(O)C(OC)OC
InChIInChI=1S/C14H22O5/c1-14(15,13(17-3)18-4)11-7-5-6-8-12(11)19-10-9-16-2/h5-8,13,15H,9-10H2,1-4H3
InChIKeyQSGQCVFYGQQAQH-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.54
Rot. Bonds8

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

1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol (PubChem CID 104658806) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol
PubChem CID104658806
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol
SMILESCOCCOc1ccccc1C(C)(O)C(OC)OC
InChIInChI=1S/C14H22O5/c1-14(15,13(17-3)18-4)11-7-5-6-8-12(11)19-10-9-16-2/h5-8,13,15H,9-10H2,1-4H3
InChIKeyQSGQCVFYGQQAQH-UHFFFAOYSA-N
XLogP1.54
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.54
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'}

Analyze 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol 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

1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
4-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-2-one
CID 113438517
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
2-[2-(2-methoxyethoxy)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47077742
2-(2,3-dichlorophenyl)-1,1-dimethoxypropan-2-ol
CID 66037184
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104659021
(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol (CID 104658806) is 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol is COCCOc1ccccc1C(C)(O)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol?
The InChIKey is QSGQCVFYGQQAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-14(15,13(17-3)18-4)11-7-5-6-8-12(11)19-10-9-16-2/h5-8,13,15H,9-10H2,1-4H3.
What are the key properties of 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol?
1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol has a molecular weight of 270.32 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-[2-(2-methoxyethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 104658806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).