2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane

C16H22O4 — CID 155385050

IUPAC2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane
SMILESc1cc(CO[C@H]2CCOC2)cc(OC2CCCCO2)c1
InChIInChI=1S/C16H22O4/c1-2-8-18-16(6-1)20-14-5-3-4-13(10-14)11-19-15-7-9-17-12-15/h3-5,10,15-16H,1-2,6-9,11-12H2/t15-,16?/m0/s1
InChIKeyZEKRYORKGHILGW-VYRBHSGPSA-N
MW278.35 g/mol
LogP2.90
Rot. Bonds5

About 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane

2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane (PubChem CID 155385050) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane.

Molecular Properties

Compound Name2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane
PubChem CID155385050
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane
SMILESc1cc(CO[C@H]2CCOC2)cc(OC2CCCCO2)c1
InChIInChI=1S/C16H22O4/c1-2-8-18-16(6-1)20-14-5-3-4-13(10-14)11-19-15-7-9-17-12-15/h3-5,10,15-16H,1-2,6-9,11-12H2/t15-,16?/m0/s1
InChIKeyZEKRYORKGHILGW-VYRBHSGPSA-N
XLogP2.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(2-chloroprop-2-enyl)phenoxy]oxane
CID 97044046
2-(3-bromophenoxy)oxane
CID 5067264
3-[[(3S)-oxolan-3-yl]oxymethyl]benzaldehyde
CID 150049092
[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
CID 63556694
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
3-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117318293
3-[3-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115004698
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane?
The IUPAC name of 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane (CID 155385050) is 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane.
What is the SMILES notation for 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane?
The canonical SMILES for 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane is c1cc(CO[C@H]2CCOC2)cc(OC2CCCCO2)c1.
What is the InChIKey of 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane?
The InChIKey is ZEKRYORKGHILGW-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H22O4/c1-2-8-18-16(6-1)20-14-5-3-4-13(10-14)11-19-15-7-9-17-12-15/h3-5,10,15-16H,1-2,6-9,11-12H2/t15-,16?/m0/s1.
What are the key properties of 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane?
2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane has a molecular weight of 278.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenoxy]oxane is sourced from PubChem (CID 155385050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).