2-(oxan-4-yl)-3-phenoxypropan-1-ol

C14H20O3 — CID 117239178

IUPAC2-(oxan-4-yl)-3-phenoxypropan-1-ol
SMILESOCC(COc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H20O3/c15-10-13(12-6-8-16-9-7-12)11-17-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2
InChIKeyRZHWZRXUOOWKCN-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.10
Rot. Bonds5

About 2-(oxan-4-yl)-3-phenoxypropan-1-ol

2-(oxan-4-yl)-3-phenoxypropan-1-ol (PubChem CID 117239178) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(oxan-4-yl)-3-phenoxypropan-1-ol.

Molecular Properties

Compound Name2-(oxan-4-yl)-3-phenoxypropan-1-ol
PubChem CID117239178
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(oxan-4-yl)-3-phenoxypropan-1-ol
SMILESOCC(COc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H20O3/c15-10-13(12-6-8-16-9-7-12)11-17-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2
InChIKeyRZHWZRXUOOWKCN-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
3-(4-methoxyphenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237928
3-(4-chlorophenoxy)-2-(oxolan-3-yl)propan-1-ol
CID 117237923
3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
CID 117239353
1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
CID 117238948
2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
CID 117246006
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
CID 117245651
3-[2-(1,1-dioxothian-4-yl)-3-hydroxypropoxy]phenol
CID 117239292
1-(oxolan-3-yl)-3-phenoxypropan-1-ol
CID 63565308
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
3-(4-chlorophenoxy)-2-(oxan-4-yl)propanoic acid
CID 117239787

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-3-phenoxypropan-1-ol?
The IUPAC name of 2-(oxan-4-yl)-3-phenoxypropan-1-ol (CID 117239178) is 2-(oxan-4-yl)-3-phenoxypropan-1-ol.
What is the SMILES notation for 2-(oxan-4-yl)-3-phenoxypropan-1-ol?
The canonical SMILES for 2-(oxan-4-yl)-3-phenoxypropan-1-ol is OCC(COc1ccccc1)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-3-phenoxypropan-1-ol?
The InChIKey is RZHWZRXUOOWKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-10-13(12-6-8-16-9-7-12)11-17-14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2.
What are the key properties of 2-(oxan-4-yl)-3-phenoxypropan-1-ol?
2-(oxan-4-yl)-3-phenoxypropan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-3-phenoxypropan-1-ol is sourced from PubChem (CID 117239178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).