1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol

C15H22O3 — CID 142795569

IUPAC1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(OCC2CCOCC2)c1
InChIInChI=1S/C15H22O3/c1-2-15(16)13-4-3-5-14(10-13)18-11-12-6-8-17-9-7-12/h3-5,10,12,15-16H,2,6-9,11H2,1H3
InChIKeyXNLHHZFKAVDHOH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.94
Rot. Bonds5

About 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol

1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol (PubChem CID 142795569) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol
PubChem CID142795569
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1cccc(OCC2CCOCC2)c1
InChIInChI=1S/C15H22O3/c1-2-15(16)13-4-3-5-14(10-13)18-11-12-6-8-17-9-7-12/h3-5,10,12,15-16H,2,6-9,11H2,1H3
InChIKeyXNLHHZFKAVDHOH-UHFFFAOYSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol (CID 142795569) is 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol is CCC(O)c1cccc(OCC2CCOCC2)c1.
What is the InChIKey of 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol?
The InChIKey is XNLHHZFKAVDHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-15(16)13-4-3-5-14(10-13)18-11-12-6-8-17-9-7-12/h3-5,10,12,15-16H,2,6-9,11H2,1H3.
What are the key properties of 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol?
1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-4-ylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 142795569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).