1-(oxolan-3-yl)-3-phenoxypropan-1-ol

C13H18O3 — CID 63565308

IUPAC1-(oxolan-3-yl)-3-phenoxypropan-1-ol
SMILESOC(CCOc1ccccc1)C1CCOC1
InChIInChI=1S/C13H18O3/c14-13(11-6-8-15-10-11)7-9-16-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2
InChIKeyLJMIAIHDAOUPMN-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.85
Rot. Bonds5

About 1-(oxolan-3-yl)-3-phenoxypropan-1-ol

1-(oxolan-3-yl)-3-phenoxypropan-1-ol (PubChem CID 63565308) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-phenoxypropan-1-ol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-phenoxypropan-1-ol
PubChem CID63565308
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(oxolan-3-yl)-3-phenoxypropan-1-ol
SMILESOC(CCOc1ccccc1)C1CCOC1
InChIInChI=1S/C13H18O3/c14-13(11-6-8-15-10-11)7-9-16-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2
InChIKeyLJMIAIHDAOUPMN-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
1-cycloheptyl-3-phenoxypropan-1-ol
CID 82931193
1-(5-oxaspiro[3.5]nonan-8-yl)-3-phenoxypropan-1-ol
CID 79921809
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
N-methyl-1-(oxolan-3-yl)-2-(2-phenoxyethoxy)ethanamine
CID 104748707
2-anilino-1-(oxolan-3-yl)ethanol
CID 82239516
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
1-(3-methylcyclohexyl)-4-phenoxybutan-1-ol
CID 55155150
1-(oxolan-3-yl)-2-pyridin-2-ylethanol
CID 63562842
2-(2,6-dimethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753445

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-phenoxypropan-1-ol?
The IUPAC name of 1-(oxolan-3-yl)-3-phenoxypropan-1-ol (CID 63565308) is 1-(oxolan-3-yl)-3-phenoxypropan-1-ol.
What is the SMILES notation for 1-(oxolan-3-yl)-3-phenoxypropan-1-ol?
The canonical SMILES for 1-(oxolan-3-yl)-3-phenoxypropan-1-ol is OC(CCOc1ccccc1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-3-phenoxypropan-1-ol?
The InChIKey is LJMIAIHDAOUPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-13(11-6-8-15-10-11)7-9-16-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2.
What are the key properties of 1-(oxolan-3-yl)-3-phenoxypropan-1-ol?
1-(oxolan-3-yl)-3-phenoxypropan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-phenoxypropan-1-ol is sourced from PubChem (CID 63565308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).