[1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate

C18H19FO2 — CID 155148699

IUPAC[1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate
SMILESCCC(=O)OC(Cc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C18H19FO2/c1-2-18(20)21-17(12-14-7-4-3-5-8-14)13-15-9-6-10-16(19)11-15/h3-11,17H,2,12-13H2,1H3
InChIKeyVRXSCCBCIJUHHS-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.93
Rot. Bonds6

About [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate

[1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate (PubChem CID 155148699) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate
PubChem CID155148699
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name[1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate
SMILESCCC(=O)OC(Cc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C18H19FO2/c1-2-18(20)21-17(12-14-7-4-3-5-8-14)13-15-9-6-10-16(19)11-15/h3-11,17H,2,12-13H2,1H3
InChIKeyVRXSCCBCIJUHHS-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chlorophenyl)-4,4-dimethylpentan-2-yl] propanoate
CID 145114802
ethanol;1-phenylethyl propanoate
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disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
4-(3-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008506
2-(diethylamino)-3-(3-fluorophenyl)propanoic acid
CID 83969897
propan-2-yl (2S)-2-amino-3-(3-fluorophenyl)propanoate
CID 67419664
benzyl (2S)-2-amino-3-(3-fluorophenyl)propanoate;hydrochloride
CID 90281947
1-(2-benzyl-3-bromopropyl)-3-fluorobenzene
CID 66047635
[1-(3-chlorophenyl)-3-phenylpropan-2-yl] propanoate;3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115632
[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7020806
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid;sulfane
CID 158527905
5-ethoxy-2-[(3-fluorophenyl)methyl]-4-hydroxypentanoic acid
CID 79418064

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate?
The IUPAC name of [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate (CID 155148699) is [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate.
What is the SMILES notation for [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate?
The canonical SMILES for [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate is CCC(=O)OC(Cc1ccccc1)Cc1cccc(F)c1.
What is the InChIKey of [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate?
The InChIKey is VRXSCCBCIJUHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c1-2-18(20)21-17(12-14-7-4-3-5-8-14)13-15-9-6-10-16(19)11-15/h3-11,17H,2,12-13H2,1H3.
What are the key properties of [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate?
[1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate has a molecular weight of 286.35 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3-phenylpropan-2-yl] propanoate is sourced from PubChem (CID 155148699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).