3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one

C12H14ClNO3 — CID 112608577

IUPAC3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one
SMILESCNCc1cccc(Cl)c1OC1CCOC1=O
InChIInChI=1S/C12H14ClNO3/c1-14-7-8-3-2-4-9(13)11(8)17-10-5-6-16-12(10)15/h2-4,10,14H,5-7H2,1H3
InChIKeyZUVRDSLIPXORAU-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.75
Rot. Bonds4

About 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one

3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one (PubChem CID 112608577) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one.

Molecular Properties

Compound Name3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one
PubChem CID112608577
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one
SMILESCNCc1cccc(Cl)c1OC1CCOC1=O
InChIInChI=1S/C12H14ClNO3/c1-14-7-8-3-2-4-9(13)11(8)17-10-5-6-16-12(10)15/h2-4,10,14H,5-7H2,1H3
InChIKeyZUVRDSLIPXORAU-UHFFFAOYSA-N
XLogP1.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]oxolan-2-one
CID 104664493
3-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]oxolan-2-one
CID 63059581
2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol
CID 112608552
2-chloro-6-(2-oxooxolan-3-yl)oxybenzonitrile
CID 114322512
3-[2-(aminomethyl)-4,6-dichlorophenoxy]oxolan-2-one
CID 60887506
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
CID 43824125
1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608637
3-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]oxolan-2-one
CID 60889471
methyl 3-methyl-2-(2-oxooxolan-3-yl)oxybenzoate
CID 154517464
1-[3-chloro-2-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 112608474
3-(5-chloroquinolin-8-yl)oxyoxolan-2-one
CID 71408844

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one?
The IUPAC name of 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one (CID 112608577) is 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one.
What is the SMILES notation for 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one?
The canonical SMILES for 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one is CNCc1cccc(Cl)c1OC1CCOC1=O.
What is the InChIKey of 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one?
The InChIKey is ZUVRDSLIPXORAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-14-7-8-3-2-4-9(13)11(8)17-10-5-6-16-12(10)15/h2-4,10,14H,5-7H2,1H3.
What are the key properties of 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one?
3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one has a molecular weight of 255.70 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(methylaminomethyl)phenoxy]oxolan-2-one is sourced from PubChem (CID 112608577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).