methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate

C18H17FO3 — CID 10851758

IUPACmethyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(C(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H17FO3/c1-22-17(20)8-4-5-13-9-11-14(12-10-13)18(21)15-6-2-3-7-16(15)19/h2-3,6-7,9-12H,4-5,8H2,1H3
InChIKeyZLVZAYWLHSTDAY-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.55
Rot. Bonds6

About methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate

methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate (PubChem CID 10851758) has the molecular formula C18H17FO3 and a molecular weight of 300.33 g/mol. Its IUPAC name is methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate
PubChem CID10851758
Molecular FormulaC18H17FO3
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Namemethyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate
SMILESCOC(=O)CCCc1ccc(C(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H17FO3/c1-22-17(20)8-4-5-13-9-11-14(12-10-13)18(21)15-6-2-3-7-16(15)19/h2-3,6-7,9-12H,4-5,8H2,1H3
InChIKeyZLVZAYWLHSTDAY-UHFFFAOYSA-N
XLogP3.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[4-(4-fluorobenzoyl)phenyl]butanoate
CID 10756621
methyl 4-[4-(4-chlorobenzoyl)phenyl]butanoate
CID 10781715
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
methyl 4-[4-(2-bromoethyl)phenyl]butanoate
CID 174537803
methyl 4-[(2-benzoylbenzoyl)amino]butanoate
CID 33234645
methyl 4-(4-fluoro-3-phenoxyphenyl)butanoate
CID 150135778
methyl 4-[4-[(R)-amino(phenyl)methyl]phenyl]butanoate
CID 10589054
(2-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 2783235
methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953294
ethane-1,2-diol;[4-[4-(2-fluorobenzoyl)phenoxy]phenyl]-(2-fluorophenyl)methanone
CID 71774691
methyl 4-(4-methylsulfonylphenyl)butanoate
CID 98784574
methyl 3-oxo-6-phenylhexanoate
CID 12701554

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate?
The IUPAC name of methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate (CID 10851758) is methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate.
What is the SMILES notation for methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate?
The canonical SMILES for methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate is COC(=O)CCCc1ccc(C(=O)c2ccccc2F)cc1.
What is the InChIKey of methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate?
The InChIKey is ZLVZAYWLHSTDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3/c1-22-17(20)8-4-5-13-9-11-14(12-10-13)18(21)15-6-2-3-7-16(15)19/h2-3,6-7,9-12H,4-5,8H2,1H3.
What are the key properties of methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate?
methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate has a molecular weight of 300.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2-fluorobenzoyl)phenyl]butanoate is sourced from PubChem (CID 10851758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).