2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid

C18H17FO2 — CID 79422053

IUPAC2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid
SMILESO=C(O)C(CC=Cc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C18H17FO2/c19-17-11-5-9-15(13-17)12-16(18(20)21)10-4-8-14-6-2-1-3-7-14/h1-9,11,13,16H,10,12H2,(H,20,21)
InChIKeyMGPWQLWURMBPPD-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.17
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid

2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid (PubChem CID 79422053) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid
PubChem CID79422053
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid
SMILESO=C(O)C(CC=Cc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C18H17FO2/c19-17-11-5-9-15(13-17)12-16(18(20)21)10-4-8-14-6-2-1-3-7-14/h1-9,11,13,16H,10,12H2,(H,20,21)
InChIKeyMGPWQLWURMBPPD-UHFFFAOYSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromophenyl)methyl]-5-phenylpent-4-enoic acid
CID 79422063
(2R)-2-[(3-fluorophenyl)methyl]butanedioic acid
CID 96723137
2-(cyclopentylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 61343576
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
2-[(3-fluorophenyl)methyl]hex-5-ynoic acid
CID 79418723
2-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)propanoic acid
CID 60793636
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 79558031
2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982237
(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid
CID 104681285
4-(3-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008506
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012
2-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793205

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid (CID 79422053) is 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid is O=C(O)C(CC=Cc1ccccc1)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid?
The InChIKey is MGPWQLWURMBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c19-17-11-5-9-15(13-17)12-16(18(20)21)10-4-8-14-6-2-1-3-7-14/h1-9,11,13,16H,10,12H2,(H,20,21).
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid?
2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid has a molecular weight of 284.33 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid is sourced from PubChem (CID 79422053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).