2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol

C15H22O3 — CID 62383931

IUPAC2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
SMILESCC(OCC1CCOCC1)C(O)c1ccccc1
InChIInChI=1S/C15H22O3/c1-12(15(16)14-5-3-2-4-6-14)18-11-13-7-9-17-10-8-13/h2-6,12-13,15-16H,7-11H2,1H3
InChIKeyYHMUCAKGETUNEF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.55
Rot. Bonds5

About 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol

2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol (PubChem CID 62383931) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
PubChem CID62383931
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
SMILESCC(OCC1CCOCC1)C(O)c1ccccc1
InChIInChI=1S/C15H22O3/c1-12(15(16)14-5-3-2-4-6-14)18-11-13-7-9-17-10-8-13/h2-6,12-13,15-16H,7-11H2,1H3
InChIKeyYHMUCAKGETUNEF-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 66322023
2-(cyclohexylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 62383408
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
CID 62383401
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
CID 119153366
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine
CID 62383540
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
4-(3-chloro-2-methyl-3-phenylpropyl)oxane
CID 104846457

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol?
The IUPAC name of 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol (CID 62383931) is 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol?
The canonical SMILES for 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol is CC(OCC1CCOCC1)C(O)c1ccccc1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol?
The InChIKey is YHMUCAKGETUNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-12(15(16)14-5-3-2-4-6-14)18-11-13-7-9-17-10-8-13/h2-6,12-13,15-16H,7-11H2,1H3.
What are the key properties of 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol?
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol is sourced from PubChem (CID 62383931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).