1-(oxan-4-yl)-2-phenoxyethanol

C13H18O3 — CID 63936275

IUPAC1-(oxan-4-yl)-2-phenoxyethanol
SMILESOC(COc1ccccc1)C1CCOCC1
InChIInChI=1S/C13H18O3/c14-13(11-6-8-15-9-7-11)10-16-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2
InChIKeyJSOOSBJZXBTZJO-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.85
Rot. Bonds4

About 1-(oxan-4-yl)-2-phenoxyethanol

1-(oxan-4-yl)-2-phenoxyethanol (PubChem CID 63936275) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-phenoxyethanol.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-phenoxyethanol
PubChem CID63936275
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(oxan-4-yl)-2-phenoxyethanol
SMILESOC(COc1ccccc1)C1CCOCC1
InChIInChI=1S/C13H18O3/c14-13(11-6-8-15-9-7-11)10-16-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2
InChIKeyJSOOSBJZXBTZJO-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-(oxan-4-yl)-3-phenoxypropan-1-ol
CID 117239178
1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
CID 117238948
1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-phenoxyethanol?
The IUPAC name of 1-(oxan-4-yl)-2-phenoxyethanol (CID 63936275) is 1-(oxan-4-yl)-2-phenoxyethanol.
What is the SMILES notation for 1-(oxan-4-yl)-2-phenoxyethanol?
The canonical SMILES for 1-(oxan-4-yl)-2-phenoxyethanol is OC(COc1ccccc1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-phenoxyethanol?
The InChIKey is JSOOSBJZXBTZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-13(11-6-8-15-9-7-11)10-16-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2.
What are the key properties of 1-(oxan-4-yl)-2-phenoxyethanol?
1-(oxan-4-yl)-2-phenoxyethanol has a molecular weight of 222.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-phenoxyethanol is sourced from PubChem (CID 63936275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).