3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol

C14H20O4 — CID 117237928

IUPAC3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
SMILESCOc1ccc(OCC(CO)C2CCOC2)cc1
InChIInChI=1S/C14H20O4/c1-16-13-2-4-14(5-3-13)18-10-12(8-15)11-6-7-17-9-11/h2-5,11-12,15H,6-10H2,1H3
InChIKeyUUVGRJOYPHVMHG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.72
Rot. Bonds6

About 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol

3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol (PubChem CID 117237928) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
PubChem CID117237928
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
SMILESCOc1ccc(OCC(CO)C2CCOC2)cc1
InChIInChI=1S/C14H20O4/c1-16-13-2-4-14(5-3-13)18-10-12(8-15)11-6-7-17-9-11/h2-5,11-12,15H,6-10H2,1H3
InChIKeyUUVGRJOYPHVMHG-UHFFFAOYSA-N
XLogP1.72
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237923
2-(oxan-4-yl)-3-phenoxypropan-1-ol
CID 117239178
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
CID 117238402
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
CID 65327756
3-(3-methylphenoxy)-2-(oxolan-3-yl)propan-1-amine
CID 117237829

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol?
The IUPAC name of 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol (CID 117237928) is 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol is COc1ccc(OCC(CO)C2CCOC2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol?
The InChIKey is UUVGRJOYPHVMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-13-2-4-14(5-3-13)18-10-12(8-15)11-6-7-17-9-11/h2-5,11-12,15H,6-10H2,1H3.
What are the key properties of 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol?
3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol has a molecular weight of 252.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol is sourced from PubChem (CID 117237928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).