methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate

C16H15FO2 — CID 146166532

IUPACmethyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate
SMILESCOC(=O)c1ccc([C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-11(13-7-9-15(17)10-8-13)12-3-5-14(6-4-12)16(18)19-2/h3-11H,1-2H3/t11-/m1/s1
InChIKeyBJZMXZODHGFHAV-LLVKDONJSA-N
MW258.29 g/mol
LogP3.76
Rot. Bonds3

About methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate

methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate (PubChem CID 146166532) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate
PubChem CID146166532
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Namemethyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate
SMILESCOC(=O)c1ccc([C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO2/c1-11(13-7-9-15(17)10-8-13)12-3-5-14(6-4-12)16(18)19-2/h3-11H,1-2H3/t11-/m1/s1
InChIKeyBJZMXZODHGFHAV-LLVKDONJSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 170307924
CID 170307924
sodium;hydride;methyl 4-fluorobenzoate
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methyl 4-[(E)-3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxoprop-1-enyl]benzoate
CID 51267119
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
4-O-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate?
The IUPAC name of methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate (CID 146166532) is methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate.
What is the SMILES notation for methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate?
The canonical SMILES for methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate is COC(=O)c1ccc([C@@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate?
The InChIKey is BJZMXZODHGFHAV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11(13-7-9-15(17)10-8-13)12-3-5-14(6-4-12)16(18)19-2/h3-11H,1-2H3/t11-/m1/s1.
What are the key properties of methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate?
methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate has a molecular weight of 258.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1R)-1-(4-fluorophenyl)ethyl]benzoate is sourced from PubChem (CID 146166532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).