2-[4-(nitrosomethyl)phenoxy]oxane

C12H15NO3 — CID 91171401

IUPAC2-[4-(nitrosomethyl)phenoxy]oxane
SMILESO=NCc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C12H15NO3/c14-13-9-10-4-6-11(7-5-10)16-12-3-1-2-8-15-12/h4-7,12H,1-3,8-9H2
InChIKeyOENINHUDIYOTMO-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.86
Rot. Bonds4

About 2-[4-(nitrosomethyl)phenoxy]oxane

2-[4-(nitrosomethyl)phenoxy]oxane (PubChem CID 91171401) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[4-(nitrosomethyl)phenoxy]oxane.

Molecular Properties

Compound Name2-[4-(nitrosomethyl)phenoxy]oxane
PubChem CID91171401
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[4-(nitrosomethyl)phenoxy]oxane
SMILESO=NCc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C12H15NO3/c14-13-9-10-4-6-11(7-5-10)16-12-3-1-2-8-15-12/h4-7,12H,1-3,8-9H2
InChIKeyOENINHUDIYOTMO-UHFFFAOYSA-N
XLogP2.86
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
N-methyl-1-[4-(oxan-2-yloxy)phenyl]methanamine
CID 171418961
4-(oxan-2-yloxy)benzoic acid
CID 11183645
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
CID 143834486
CID 143834486
[4-(oxan-2-yloxy)phenyl]methyl prop-2-enoate
CID 19421220
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567

Frequently Asked Questions

What is the IUPAC name of 2-[4-(nitrosomethyl)phenoxy]oxane?
The IUPAC name of 2-[4-(nitrosomethyl)phenoxy]oxane (CID 91171401) is 2-[4-(nitrosomethyl)phenoxy]oxane.
What is the SMILES notation for 2-[4-(nitrosomethyl)phenoxy]oxane?
The canonical SMILES for 2-[4-(nitrosomethyl)phenoxy]oxane is O=NCc1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 2-[4-(nitrosomethyl)phenoxy]oxane?
The InChIKey is OENINHUDIYOTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-13-9-10-4-6-11(7-5-10)16-12-3-1-2-8-15-12/h4-7,12H,1-3,8-9H2.
What are the key properties of 2-[4-(nitrosomethyl)phenoxy]oxane?
2-[4-(nitrosomethyl)phenoxy]oxane has a molecular weight of 221.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(nitrosomethyl)phenoxy]oxane is sourced from PubChem (CID 91171401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).