2-[4-(oxan-2-yloxymethyl)phenoxy]oxane

C17H24O4 — CID 101362561

IUPAC2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
SMILESc1cc(OC2CCCCO2)ccc1COC1CCCCO1
InChIInChI=1S/C17H24O4/c1-3-11-18-16(5-1)20-13-14-7-9-15(10-8-14)21-17-6-2-4-12-19-17/h7-10,16-17H,1-6,11-13H2
InChIKeyAIQXSNFITKSKFH-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane

2-[4-(oxan-2-yloxymethyl)phenoxy]oxane (PubChem CID 101362561) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane.

Molecular Properties

Compound Name2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
PubChem CID101362561
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
SMILESc1cc(OC2CCCCO2)ccc1COC1CCCCO1
InChIInChI=1S/C17H24O4/c1-3-11-18-16(5-1)20-13-14-7-9-15(10-8-14)21-17-6-2-4-12-19-17/h7-10,16-17H,1-6,11-13H2
InChIKeyAIQXSNFITKSKFH-UHFFFAOYSA-N
XLogP3.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
4-(oxan-2-yloxy)phenol
CID 11745519
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
CID 171418961
2-[4-(nitrosomethyl)phenoxy]oxane
CID 91171401
[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
CID 19421220
4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
CID 89394119
2-[(4-chlorophenyl)methoxy]oxolane
CID 102105550
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane?
The IUPAC name of 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane (CID 101362561) is 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane.
What is the SMILES notation for 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane?
The canonical SMILES for 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane is c1cc(OC2CCCCO2)ccc1COC1CCCCO1.
What is the InChIKey of 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane?
The InChIKey is AIQXSNFITKSKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-11-18-16(5-1)20-13-14-7-9-15(10-8-14)21-17-6-2-4-12-19-17/h7-10,16-17H,1-6,11-13H2.
What are the key properties of 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane?
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane has a molecular weight of 292.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-2-yloxymethyl)phenoxy]oxane is sourced from PubChem (CID 101362561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).