4-(2-methoxyphenyl)oxane

C12H16O2 — CID 121009799

IUPAC4-(2-methoxyphenyl)oxane
SMILESCOc1ccccc1C1CCOCC1
InChIInChI=1S/C12H16O2/c1-13-12-5-3-2-4-11(12)10-6-8-14-9-7-10/h2-5,10H,6-9H2,1H3
InChIKeyRWGAUBPDRQJOQL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.59
Rot. Bonds2

About 4-(2-methoxyphenyl)oxane

4-(2-methoxyphenyl)oxane (PubChem CID 121009799) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)oxane.

Molecular Properties

Compound Name4-(2-methoxyphenyl)oxane
PubChem CID121009799
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-(2-methoxyphenyl)oxane
SMILESCOc1ccccc1C1CCOCC1
InChIInChI=1S/C12H16O2/c1-13-12-5-3-2-4-11(12)10-6-8-14-9-7-10/h2-5,10H,6-9H2,1H3
InChIKeyRWGAUBPDRQJOQL-UHFFFAOYSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(4R)-4-(2-methoxyphenyl)oxan-2-one
CID 102162609
4-(2-methoxyphenyl)piperidine
CID 544738
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
2-[2-(oxan-4-yl)phenoxy]ethanamine
CID 115032722
2-[2-(oxan-4-yl)phenoxy]acetic acid
CID 22246374
cis-(8S,9R)-8,9-bis(2-methoxyphenyl)-1,4-dioxa-7,10-diazacyclododecane
CID 10452748
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone
CID 119073542
2,5-bis(2-methoxyphenyl)-1-methylphospholane
CID 90111468
3-(2-methoxyphenyl)cyclopentan-1-ol
CID 64516267
3-(2-methoxyphenyl)pyrrolidin-1-ide
CID 143249509
3-(2-methoxyphenyl)-N-[1-(oxolan-3-yl)ethyl]cyclobutan-1-amine
CID 115919997

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)oxane?
The IUPAC name of 4-(2-methoxyphenyl)oxane (CID 121009799) is 4-(2-methoxyphenyl)oxane.
What is the SMILES notation for 4-(2-methoxyphenyl)oxane?
The canonical SMILES for 4-(2-methoxyphenyl)oxane is COc1ccccc1C1CCOCC1.
What is the InChIKey of 4-(2-methoxyphenyl)oxane?
The InChIKey is RWGAUBPDRQJOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-13-12-5-3-2-4-11(12)10-6-8-14-9-7-10/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)oxane?
4-(2-methoxyphenyl)oxane has a molecular weight of 192.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)oxane is sourced from PubChem (CID 121009799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).