1-(2,3-dimethoxyphenyl)-2-propoxyethanol

C13H20O4 — CID 79567810

IUPAC1-(2,3-dimethoxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1cccc(OC)c1OC
InChIInChI=1S/C13H20O4/c1-4-8-17-9-11(14)10-6-5-7-12(15-2)13(10)16-3/h5-7,11,14H,4,8-9H2,1-3H3
InChIKeyJEIYFRTZKUBAQR-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.16
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-2-propoxyethanol

1-(2,3-dimethoxyphenyl)-2-propoxyethanol (PubChem CID 79567810) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-propoxyethanol
PubChem CID79567810
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(2,3-dimethoxyphenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1cccc(OC)c1OC
InChIInChI=1S/C13H20O4/c1-4-8-17-9-11(14)10-6-5-7-12(15-2)13(10)16-3/h5-7,11,14H,4,8-9H2,1-3H3
InChIKeyJEIYFRTZKUBAQR-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-(2,3-dimethoxyphenyl)-2-propoxyethanol 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-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048
1-(3-bromo-2-methylphenyl)-2-propoxyethanol
CID 115818912
1-(2-methoxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63686924
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
CID 55233858
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
1-(2-bromo-3-fluorophenyl)-2-propoxyethanol
CID 115818859
1-(2,3-dimethoxyphenyl)-1-propoxybutan-2-one
CID 83224989
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232
1-(2,3-dimethoxyphenyl)-N-ethyl-2-methoxyethanamine
CID 105165629
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-propoxyethanol?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-propoxyethanol (CID 79567810) is 1-(2,3-dimethoxyphenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-propoxyethanol?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-propoxyethanol is CCCOCC(O)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-propoxyethanol?
The InChIKey is JEIYFRTZKUBAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-4-8-17-9-11(14)10-6-5-7-12(15-2)13(10)16-3/h5-7,11,14H,4,8-9H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-propoxyethanol?
1-(2,3-dimethoxyphenyl)-2-propoxyethanol 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-(2,3-dimethoxyphenyl)-2-propoxyethanol is sourced from PubChem (CID 79567810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).