2-[(4-methoxy-3-methylphenyl)methoxy]oxane

C14H20O3 — CID 66596594

IUPAC2-[(4-methoxy-3-methylphenyl)methoxy]oxane
SMILESCOc1ccc(COC2CCCCO2)cc1C
InChIInChI=1S/C14H20O3/c1-11-9-12(6-7-13(11)15-2)10-17-14-5-3-4-8-16-14/h6-7,9,14H,3-5,8,10H2,1-2H3
InChIKeyUUDACOKFLMSRMU-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.05
Rot. Bonds4

About 2-[(4-methoxy-3-methylphenyl)methoxy]oxane

2-[(4-methoxy-3-methylphenyl)methoxy]oxane (PubChem CID 66596594) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methoxy]oxane
PubChem CID66596594
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[(4-methoxy-3-methylphenyl)methoxy]oxane
SMILESCOc1ccc(COC2CCCCO2)cc1C
InChIInChI=1S/C14H20O3/c1-11-9-12(6-7-13(11)15-2)10-17-14-5-3-4-8-16-14/h6-7,9,14H,3-5,8,10H2,1-2H3
InChIKeyUUDACOKFLMSRMU-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-methoxy-4-(1,1,2,2-tetradeuterio-2-iodoethoxy)phenyl]methoxy]oxane
CID 101144940
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
4-(oxan-2-yloxymethyl)-2-(trideuteriomethoxy)phenol
CID 101144934
2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane
CID 102211763
2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
2-[(4-methylphenyl)methoxy]oxolane
CID 11745476
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
3-methyl-4-(oxan-2-yloxymethyl)-N,N-bis[4-(oxan-2-yloxymethyl)phenyl]aniline
CID 71233408
2-[[4-(2-bromoethoxy)-3,5-dimethoxyphenyl]methoxy]oxane
CID 71733596
2-chloro-4-(oxan-2-yloxymethyl)pyridine
CID 86090104
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methoxy]oxane?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methoxy]oxane (CID 66596594) is 2-[(4-methoxy-3-methylphenyl)methoxy]oxane.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methoxy]oxane?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methoxy]oxane is COc1ccc(COC2CCCCO2)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methoxy]oxane?
The InChIKey is UUDACOKFLMSRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11-9-12(6-7-13(11)15-2)10-17-14-5-3-4-8-16-14/h6-7,9,14H,3-5,8,10H2,1-2H3.
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methoxy]oxane?
2-[(4-methoxy-3-methylphenyl)methoxy]oxane has a molecular weight of 236.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methoxy]oxane is sourced from PubChem (CID 66596594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).