2-[(4-benzylphenoxy)methyl]oxane

C19H22O2 — CID 173143012

IUPAC2-[(4-benzylphenoxy)methyl]oxane
SMILESc1ccc(Cc2ccc(OCC3CCCCO3)cc2)cc1
InChIInChI=1S/C19H22O2/c1-2-6-16(7-3-1)14-17-9-11-18(12-10-17)21-15-19-8-4-5-13-20-19/h1-3,6-7,9-12,19H,4-5,8,13-15H2
InChIKeyPIUGBLSLCLYUOJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.23
Rot. Bonds5

About 2-[(4-benzylphenoxy)methyl]oxane

2-[(4-benzylphenoxy)methyl]oxane (PubChem CID 173143012) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(4-benzylphenoxy)methyl]oxane.

Molecular Properties

Compound Name2-[(4-benzylphenoxy)methyl]oxane
PubChem CID173143012
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-[(4-benzylphenoxy)methyl]oxane
SMILESc1ccc(Cc2ccc(OCC3CCCCO3)cc2)cc1
InChIInChI=1S/C19H22O2/c1-2-6-16(7-3-1)14-17-9-11-18(12-10-17)21-15-19-8-4-5-13-20-19/h1-3,6-7,9-12,19H,4-5,8,13-15H2
InChIKeyPIUGBLSLCLYUOJ-UHFFFAOYSA-N
XLogP4.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-benzylphenoxy)methyl]oxane 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-[4-(oxan-2-ylmethoxy)phenyl]acetonitrile
CID 43422058
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-phenylpropanoic acid
CID 120510718
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
CID 111422052
2-[[4-[[3-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134221521
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylphenoxy)methyl]oxane?
The IUPAC name of 2-[(4-benzylphenoxy)methyl]oxane (CID 173143012) is 2-[(4-benzylphenoxy)methyl]oxane.
What is the SMILES notation for 2-[(4-benzylphenoxy)methyl]oxane?
The canonical SMILES for 2-[(4-benzylphenoxy)methyl]oxane is c1ccc(Cc2ccc(OCC3CCCCO3)cc2)cc1.
What is the InChIKey of 2-[(4-benzylphenoxy)methyl]oxane?
The InChIKey is PIUGBLSLCLYUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-6-16(7-3-1)14-17-9-11-18(12-10-17)21-15-19-8-4-5-13-20-19/h1-3,6-7,9-12,19H,4-5,8,13-15H2.
What are the key properties of 2-[(4-benzylphenoxy)methyl]oxane?
2-[(4-benzylphenoxy)methyl]oxane has a molecular weight of 282.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylphenoxy)methyl]oxane is sourced from PubChem (CID 173143012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).