methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate

C21H18FNO4 — CID 54068788

IUPACmethyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1ccc2ccccc2c1OCc1ccccc1F
InChIInChI=1S/C21H18FNO4/c1-25-21(24)19(23-26-2)17-12-11-14-7-3-5-9-16(14)20(17)27-13-15-8-4-6-10-18(15)22/h3-12H,13H2,1-2H3
InChIKeyMEXWVOCSGQXMFY-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.08
Rot. Bonds6

About methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate

methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate (PubChem CID 54068788) has the molecular formula C21H18FNO4 and a molecular weight of 367.38 g/mol. Its IUPAC name is methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate
PubChem CID54068788
Molecular FormulaC21H18FNO4
Molecular Weight367.38 g/mol
Exact Mass367.12
IUPAC Namemethyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate
SMILESCON=C(C(=O)OC)c1ccc2ccccc2c1OCc1ccccc1F
InChIInChI=1S/C21H18FNO4/c1-25-21(24)19(23-26-2)17-12-11-14-7-3-5-9-16(14)20(17)27-13-15-8-4-6-10-18(15)22/h3-12H,13H2,1-2H3
InChIKeyMEXWVOCSGQXMFY-UHFFFAOYSA-N
XLogP4.08
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 127024143
CID 127024143
CID 15346094
CID 15346094
CID 5344900
CID 5344900
CID 127042010
CID 127042010
CID 134817051
CID 134817051
CID 25229560
CID 25229560
CID 129853381
CID 129853381
CID 15416042
CID 15416042
CID 21627406
CID 21627406
CID 15346093
CID 15346093
CID 59055433
CID 59055433
CID 59326535
CID 59326535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate?
The IUPAC name of methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate (CID 54068788) is methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate?
The canonical SMILES for methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate is CON=C(C(=O)OC)c1ccc2ccccc2c1OCc1ccccc1F.
What is the InChIKey of methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate?
The InChIKey is MEXWVOCSGQXMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO4/c1-25-21(24)19(23-26-2)17-12-11-14-7-3-5-9-16(14)20(17)27-13-15-8-4-6-10-18(15)22/h3-12H,13H2,1-2H3.
What are the key properties of methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate?
methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate has a molecular weight of 367.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-methoxyiminoacetate is sourced from PubChem (CID 54068788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).