7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid

C23H33FO4 — CID 173478566

IUPAC7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@H]1CC[C@@H](O)C1CCC(O)C=Cc1ccc(F)cc1
InChIInChI=1S/C23H33FO4/c24-19-11-7-17(8-12-19)9-13-20(25)14-15-21-18(10-16-22(21)26)5-3-1-2-4-6-23(27)28/h7-9,11-13,18,20-22,25-26H,1-6,10,14-16H2,(H,27,28)/t18-,20?,21?,22+/m0/s1
InChIKeyPUPYRTWPMGIDBW-FTWXPCQCSA-N
MW392.51 g/mol
LogP4.79
Rot. Bonds12

About 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid

7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid (PubChem CID 173478566) has the molecular formula C23H33FO4 and a molecular weight of 392.51 g/mol. Its IUPAC name is 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid
PubChem CID173478566
Molecular FormulaC23H33FO4
Molecular Weight392.51 g/mol
Exact Mass392.24
IUPAC Name7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCC[C@H]1CC[C@@H](O)C1CCC(O)C=Cc1ccc(F)cc1
InChIInChI=1S/C23H33FO4/c24-19-11-7-17(8-12-19)9-13-20(25)14-15-21-18(10-16-22(21)26)5-3-1-2-4-6-23(27)28/h7-9,11-13,18,20-22,25-26H,1-6,10,14-16H2,(H,27,28)/t18-,20?,21?,22+/m0/s1
InChIKeyPUPYRTWPMGIDBW-FTWXPCQCSA-N
XLogP4.79
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(1R,2R,3R,5S)-2-[(E)-5-(4-chlorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]heptanoic acid
CID 59922178
6-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxyoct-4-enyl)cyclopentyl]hexanoic acid
CID 54051567
7-[(1R,2R,3R,5S)-2-[(E)-5-(2-fluoro-3-formylphenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]heptanoic acid
CID 126625980
7-[(1S,2S)-2-[2-(4-fluorophenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid
CID 54013049
7-[2-[7-(2,4-difluoroanilino)-3-hydroxyhept-4-enyl]cyclopentyl]heptanoic acid
CID 91173912
7-(4-fluorophenyl)hept-6-enoic acid
CID 54475519
7-[(1R,2R,3R,5S)-2-[6-(2,4-difluorophenyl)-3-hydroxyhexa-4,5-dienyl]-3,5-dihydroxycyclopentyl]heptanoic acid
CID 59734613
7-[(1R,2R,3R,5S)-2-[5-(2-fluorophenyl)-3-hydroxypent-4-enyl]-3,5-dihydroxycyclopentyl]-N-hydroxyheptanamide
CID 91310930
8-[2-hydroxy-5-(nitromethyl)cyclopentyl]octanoic acid
CID 21403706
7-[2-hydroxy-5-(nitromethyl)cyclopentyl]heptanoic acid
CID 21403618
6-[2-hydroxy-5-[(E)-3-hydroxypent-1-enyl]cyclopentyl]hexanoic acid
CID 21403747
propan-2-yl 7-[(1S,3R)-3-hydroxy-2-(3-hydroxy-4-phenylsulfanylbutyl)cyclopentyl]heptanoate
CID 71073553

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid (CID 173478566) is 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid is O=C(O)CCCCCC[C@H]1CC[C@@H](O)C1CCC(O)C=Cc1ccc(F)cc1.
What is the InChIKey of 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid?
The InChIKey is PUPYRTWPMGIDBW-FTWXPCQCSA-N. The full InChI is InChI=1S/C23H33FO4/c24-19-11-7-17(8-12-19)9-13-20(25)14-15-21-18(10-16-22(21)26)5-3-1-2-4-6-23(27)28/h7-9,11-13,18,20-22,25-26H,1-6,10,14-16H2,(H,27,28)/t18-,20?,21?,22+/m0/s1.
What are the key properties of 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid?
7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid has a molecular weight of 392.51 g/mol, XLogP of 4.79, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,3R)-2-[5-(4-fluorophenyl)-3-hydroxypent-4-enyl]-3-hydroxycyclopentyl]heptanoic acid is sourced from PubChem (CID 173478566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).