methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate

C21H24FNO4 — CID 139937310

IUPACmethyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate
SMILESCOC(=O)C(CCCCCc1ccc(OCc2ccc(F)cc2)cc1)=NO
InChIInChI=1S/C21H24FNO4/c1-26-21(24)20(23-25)6-4-2-3-5-16-9-13-19(14-10-16)27-15-17-7-11-18(22)12-8-17/h7-14,25H,2-6,15H2,1H3
InChIKeyZKENATJGTWTLCQ-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.51
Rot. Bonds10

About methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate

methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate (PubChem CID 139937310) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate.

Molecular Properties

Compound Namemethyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate
PubChem CID139937310
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Namemethyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate
SMILESCOC(=O)C(CCCCCc1ccc(OCc2ccc(F)cc2)cc1)=NO
InChIInChI=1S/C21H24FNO4/c1-26-21(24)20(23-25)6-4-2-3-5-16-9-13-19(14-10-16)27-15-17-7-11-18(22)12-8-17/h7-14,25H,2-6,15H2,1H3
InChIKeyZKENATJGTWTLCQ-UHFFFAOYSA-N
XLogP4.51
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-5-(4-fluorophenoxy)-2-hydroxyiminopentanoate
CID 18370994
methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methoxyheptanoate
CID 139937384
diethyl 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]propanedioate
CID 139937367
ethyl (2E)-5-(4-fluorophenoxy)-2-hydroxyiminopentanoate
CID 18370808
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884
2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid
CID 139937334
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
methyl 7-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]heptanoate
CID 139937357
ethyl 2-carbamoyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoate
CID 139937361
propan-2-yl 4-(4-fluorophenyl)-2-hydroxyiminobutanoate
CID 73432748
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
methyl 4-(4-fluorophenyl)-2-oxobutanoate
CID 18370211

Frequently Asked Questions

What is the IUPAC name of methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate?
The IUPAC name of methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate (CID 139937310) is methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate.
What is the SMILES notation for methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate?
The canonical SMILES for methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate is COC(=O)C(CCCCCc1ccc(OCc2ccc(F)cc2)cc1)=NO.
What is the InChIKey of methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate?
The InChIKey is ZKENATJGTWTLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-26-21(24)20(23-25)6-4-2-3-5-16-9-13-19(14-10-16)27-15-17-7-11-18(22)12-8-17/h7-14,25H,2-6,15H2,1H3.
What are the key properties of methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate?
methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate has a molecular weight of 373.42 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate is sourced from PubChem (CID 139937310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).