[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride

C15H16ClNO3 — CID 68860648

IUPAC[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride
SMILESCOC(=O)COc1ccc(-c2ccc([NH3+])cc2)cc1.[Cl-]
InChIInChI=1S/C15H15NO3.ClH/c1-18-15(17)10-19-14-8-4-12(5-9-14)11-2-6-13(16)7-3-11;/h2-9H,10,16H2,1H3;1H
InChIKeyLXQVTELNRCKRJN-UHFFFAOYSA-N
MW293.75 g/mol
LogP-1.22
Rot. Bonds4

About [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride

[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride (PubChem CID 68860648) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride.

Molecular Properties

Compound Name[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride
PubChem CID68860648
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride
SMILESCOC(=O)COc1ccc(-c2ccc([NH3+])cc2)cc1.[Cl-]
InChIInChI=1S/C15H15NO3.ClH/c1-18-15(17)10-19-14-8-4-12(5-9-14)11-2-6-13(16)7-3-11;/h2-9H,10,16H2,1H3;1H
InChIKeyLXQVTELNRCKRJN-UHFFFAOYSA-N
XLogP-1.22
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-[4-(2H-tetrazol-5-yl)phenoxy]acetate
CID 59205718
(2-methoxy-2-oxoethyl) 2-(4-arsanylphenoxy)acetate
CID 173159456
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
methyl 2-[4-(iodomethyl)phenoxy]acetate
CID 89385998
methyl 2-[4-(1-hydroxyethyl)phenoxy]acetate
CID 43503745
methyl 2-(4-propylphenoxy)acetate
CID 19911850
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246
methyl 2-[4-(2-aminoethyl)phenoxy]acetate
CID 15674417

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride?
The IUPAC name of [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride (CID 68860648) is [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride.
What is the SMILES notation for [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride?
The canonical SMILES for [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride is COC(=O)COc1ccc(-c2ccc([NH3+])cc2)cc1.[Cl-].
What is the InChIKey of [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride?
The InChIKey is LXQVTELNRCKRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3.ClH/c1-18-15(17)10-19-14-8-4-12(5-9-14)11-2-6-13(16)7-3-11;/h2-9H,10,16H2,1H3;1H.
What are the key properties of [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride?
[4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride has a molecular weight of 293.75 g/mol, XLogP of -1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxy-2-oxoethoxy)phenyl]phenyl]azanium chloride is sourced from PubChem (CID 68860648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).