2-[(3,5-dimethoxyphenyl)methoxy]oxane

C14H20O4 — CID 173090369

IUPAC2-[(3,5-dimethoxyphenyl)methoxy]oxane
SMILESCOc1cc(COC2CCCCO2)cc(OC)c1
InChIInChI=1S/C14H20O4/c1-15-12-7-11(8-13(9-12)16-2)10-18-14-5-3-4-6-17-14/h7-9,14H,3-6,10H2,1-2H3
InChIKeyCQXBGVFPBAGFEH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.75
Rot. Bonds5

About 2-[(3,5-dimethoxyphenyl)methoxy]oxane

2-[(3,5-dimethoxyphenyl)methoxy]oxane (PubChem CID 173090369) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methoxy]oxane
PubChem CID173090369
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[(3,5-dimethoxyphenyl)methoxy]oxane
SMILESCOc1cc(COC2CCCCO2)cc(OC)c1
InChIInChI=1S/C14H20O4/c1-15-12-7-11(8-13(9-12)16-2)10-18-14-5-3-4-6-17-14/h7-9,14H,3-6,10H2,1-2H3
InChIKeyCQXBGVFPBAGFEH-UHFFFAOYSA-N
XLogP2.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
2-[[4-(2-bromoethoxy)-3,5-dimethoxyphenyl]methoxy]oxane
CID 71733596
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
[2-chloro-6-methoxy-4-(oxan-2-yloxymethyl)phenoxy]-tri(propan-2-yl)silane
CID 102224181
(2S)-2-(2,6-dibromo-4-methoxyphenoxy)oxane
CID 125483390
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol
CID 101144934
2-bromo-4-(oxan-2-yloxymethyl)benzonitrile
CID 90092021
N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 54948810

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]oxane?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]oxane (CID 173090369) is 2-[(3,5-dimethoxyphenyl)methoxy]oxane.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methoxy]oxane?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methoxy]oxane is COc1cc(COC2CCCCO2)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methoxy]oxane?
The InChIKey is CQXBGVFPBAGFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-15-12-7-11(8-13(9-12)16-2)10-18-14-5-3-4-6-17-14/h7-9,14H,3-6,10H2,1-2H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methoxy]oxane?
2-[(3,5-dimethoxyphenyl)methoxy]oxane has a molecular weight of 252.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methoxy]oxane is sourced from PubChem (CID 173090369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).