3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol

C13H18O3 — CID 117318293

IUPAC3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
SMILESOCCCc1cccc(OC2CCOC2)c1
InChIInChI=1S/C13H18O3/c14-7-2-4-11-3-1-5-12(9-11)16-13-6-8-15-10-13/h1,3,5,9,13-14H,2,4,6-8,10H2
InChIKeyIGJRNQIEPSAQOX-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.78
Rot. Bonds5

About 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol

3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol (PubChem CID 117318293) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
PubChem CID117318293
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
SMILESOCCCc1cccc(OC2CCOC2)c1
InChIInChI=1S/C13H18O3/c14-7-2-4-11-3-1-5-12(9-11)16-13-6-8-15-10-13/h1,3,5,9,13-14H,2,4,6-8,10H2
InChIKeyIGJRNQIEPSAQOX-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
4-[3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415298
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117345312
[3-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]methanol
CID 79894680
3-(3-cyclobutyloxyphenyl)propan-1-amine
CID 117294096
(3-cyclopropyloxyphenyl)methanol
CID 57336629
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
N-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 83484577
(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol (CID 117318293) is 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol is OCCCc1cccc(OC2CCOC2)c1.
What is the InChIKey of 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol?
The InChIKey is IGJRNQIEPSAQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-7-2-4-11-3-1-5-12(9-11)16-13-6-8-15-10-13/h1,3,5,9,13-14H,2,4,6-8,10H2.
What are the key properties of 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol?
3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117318293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).