4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane

C17H23ClO4 — CID 155795557

IUPAC4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane
SMILESC[C@H]1COC(Oc2ccc(Cl)c(OCC3CCOCC3)c2)C1
InChIInChI=1S/C17H23ClO4/c1-12-8-17(21-10-12)22-14-2-3-15(18)16(9-14)20-11-13-4-6-19-7-5-13/h2-3,9,12-13,17H,4-8,10-11H2,1H3/t12-,17?/m1/s1
InChIKeyFAERAHBUHSKRGC-MTATWXBHSA-N
MW326.82 g/mol
LogP3.91
Rot. Bonds5

About 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane

4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane (PubChem CID 155795557) has the molecular formula C17H23ClO4 and a molecular weight of 326.82 g/mol. Its IUPAC name is 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane.

Molecular Properties

Compound Name4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane
PubChem CID155795557
Molecular FormulaC17H23ClO4
Molecular Weight326.82 g/mol
Exact Mass326.13
IUPAC Name4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane
SMILESC[C@H]1COC(Oc2ccc(Cl)c(OCC3CCOCC3)c2)C1
InChIInChI=1S/C17H23ClO4/c1-12-8-17(21-10-12)22-14-2-3-15(18)16(9-14)20-11-13-4-6-19-7-5-13/h2-3,9,12-13,17H,4-8,10-11H2,1H3/t12-,17?/m1/s1
InChIKeyFAERAHBUHSKRGC-MTATWXBHSA-N
XLogP3.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane?
The IUPAC name of 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane (CID 155795557) is 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane.
What is the SMILES notation for 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane?
The canonical SMILES for 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane is C[C@H]1COC(Oc2ccc(Cl)c(OCC3CCOCC3)c2)C1.
What is the InChIKey of 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane?
The InChIKey is FAERAHBUHSKRGC-MTATWXBHSA-N. The full InChI is InChI=1S/C17H23ClO4/c1-12-8-17(21-10-12)22-14-2-3-15(18)16(9-14)20-11-13-4-6-19-7-5-13/h2-3,9,12-13,17H,4-8,10-11H2,1H3/t12-,17?/m1/s1.
What are the key properties of 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane?
4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane has a molecular weight of 326.82 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-chloro-5-[(4R)-4-methyloxolan-2-yl]oxyphenoxy]methyl]oxane is sourced from PubChem (CID 155795557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).