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

C13H17ClO3 — CID 117237923

IUPAC3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol
SMILESOCC(COc1ccc(Cl)cc1)C1CCOC1
InChIInChI=1S/C13H17ClO3/c14-12-1-3-13(4-2-12)17-9-11(7-15)10-5-6-16-8-10/h1-4,10-11,15H,5-9H2
InChIKeyDIHISDCGNCBXEB-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.36
Rot. Bonds5

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

3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol (PubChem CID 117237923) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol
PubChem CID117237923
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol
SMILESOCC(COc1ccc(Cl)cc1)C1CCOC1
InChIInChI=1S/C13H17ClO3/c14-12-1-3-13(4-2-12)17-9-11(7-15)10-5-6-16-8-10/h1-4,10-11,15H,5-9H2
InChIKeyDIHISDCGNCBXEB-UHFFFAOYSA-N
XLogP2.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237928
2-(oxan-4-yl)-3-phenoxypropan-1-ol
CID 117239178
3-(4-chlorophenoxy)-2-(oxan-4-yl)propanoic acid
CID 117239787
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(4-chlorophenoxy)-1-cycloheptylethanol
CID 105122069
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548047
1-(oxolan-3-yl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 113448536
methyl 3-(4-hydroxyphenoxy)-2-(oxolan-3-yl)propanoate
CID 117238402
2-(4-ethoxyphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748364
2-(4-chlorophenoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 105116183

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol?
The IUPAC name of 3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol (CID 117237923) is 3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol is OCC(COc1ccc(Cl)cc1)C1CCOC1.
What is the InChIKey of 3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol?
The InChIKey is DIHISDCGNCBXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c14-12-1-3-13(4-2-12)17-9-11(7-15)10-5-6-16-8-10/h1-4,10-11,15H,5-9H2.
What are the key properties of 3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol?
3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol has a molecular weight of 256.73 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol is sourced from PubChem (CID 117237923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).