3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol

C13H20O3 — CID 105083019

IUPAC3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
SMILESCCOCCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C13H20O3/c1-4-16-8-7-13(14)12-6-5-11(15-3)9-10(12)2/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyRUWDGRGWUTUNCB-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.46
Rot. Bonds6

About 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol

3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol (PubChem CID 105083019) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
PubChem CID105083019
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
SMILESCCOCCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C13H20O3/c1-4-16-8-7-13(14)12-6-5-11(15-3)9-10(12)2/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyRUWDGRGWUTUNCB-UHFFFAOYSA-N
XLogP2.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-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

3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 116504533
1-(2,4-dimethoxyphenyl)-3-propoxypropan-1-ol
CID 105095984
1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074465
3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 61101293
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199
3-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105082960
3-ethoxy-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 103397334

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol (CID 105083019) is 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol is CCOCCC(O)c1ccc(OC)cc1C.
What is the InChIKey of 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The InChIKey is RUWDGRGWUTUNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-4-16-8-7-13(14)12-6-5-11(15-3)9-10(12)2/h5-6,9,13-14H,4,7-8H2,1-3H3.
What are the key properties of 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol?
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 105083019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).