3-ethoxy-1-(2-methoxyphenyl)propan-1-ol

C12H18O3 — CID 112688199

IUPAC3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
SMILESCCOCCC(O)c1ccccc1OC
InChIInChI=1S/C12H18O3/c1-3-15-9-8-11(13)10-6-4-5-7-12(10)14-2/h4-7,11,13H,3,8-9H2,1-2H3
InChIKeyFYQUXJTZVCZHRS-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.16
Rot. Bonds6

About 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol

3-ethoxy-1-(2-methoxyphenyl)propan-1-ol (PubChem CID 112688199) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
PubChem CID112688199
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
SMILESCCOCCC(O)c1ccccc1OC
InChIInChI=1S/C12H18O3/c1-3-15-9-8-11(13)10-6-4-5-7-12(10)14-2/h4-7,11,13H,3,8-9H2,1-2H3
InChIKeyFYQUXJTZVCZHRS-UHFFFAOYSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.16
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-(2-methoxyphenyl)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

1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol (CID 112688199) is 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol is CCOCCC(O)c1ccccc1OC.
What is the InChIKey of 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol?
The InChIKey is FYQUXJTZVCZHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-15-9-8-11(13)10-6-4-5-7-12(10)14-2/h4-7,11,13H,3,8-9H2,1-2H3.
What are the key properties of 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol?
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 112688199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).