3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol

C24H33FO2 — CID 22951141

IUPAC3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol
SMILESCCCC/C=C/CC1C(O)CC(F)C1/C=C/C(O)C1Cc2ccccc2C1
InChIInChI=1S/C24H33FO2/c1-2-3-4-5-6-11-21-20(22(25)16-24(21)27)12-13-23(26)19-14-17-9-7-8-10-18(17)15-19/h5-10,12-13,19-24,26-27H,2-4,11,14-16H2,1H3/b6-5+,13-12+
InChIKeyVEZAOZFANPGAAN-LHELVOSYSA-N
MW372.52 g/mol
LogP4.79
Rot. Bonds8

About 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol

3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol (PubChem CID 22951141) has the molecular formula C24H33FO2 and a molecular weight of 372.52 g/mol. Its IUPAC name is 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol
PubChem CID22951141
Molecular FormulaC24H33FO2
Molecular Weight372.52 g/mol
Exact Mass372.25
IUPAC Name3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol
SMILESCCCC/C=C/CC1C(O)CC(F)C1/C=C/C(O)C1Cc2ccccc2C1
InChIInChI=1S/C24H33FO2/c1-2-3-4-5-6-11-21-20(22(25)16-24(21)27)12-13-23(26)19-14-17-9-7-8-10-18(17)15-19/h5-10,12-13,19-24,26-27H,2-4,11,14-16H2,1H3/b6-5+,13-12+
InChIKeyVEZAOZFANPGAAN-LHELVOSYSA-N
XLogP4.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis((Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]hept-5-enoic acid);molecular iodine;praseodymium;triiodide
CID 161029535
(Z)-7-[(1R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-3-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]prop-1-enyl]cyclopentyl]hept-5-enoic acid
CID 71449046
CID 89201023
CID 89201023
(E)-1-(2,3-dihydro-1H-inden-2-yl)-3-[(1R,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]prop-2-en-1-one
CID 59878802
(1S,2R,3R,4S)-3-[(E)-2-[2-[(3-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentan-1-ol
CID 59878882
3-[(E)-2-[2-[(3-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]ethenyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol
CID 22951517
CID 21049102
CID 21049102
4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol
CID 20612560
cis-(1S,3R)-4-[(Z)-hept-2-enyl]-5-(2-hydroxybutyl)cyclopentane-1,3-diol
CID 67572759
butyl (Z)-7-[(3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]cyclopentyl]hept-5-enoate
CID 59099651
[(1S,2R,3R,4S)-2-[(Z)-6-bromohex-2-enyl]-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-3-(2,3-dihydro-1H-inden-2-yl)prop-1-enyl]-4-fluorocyclopentyl] acetate
CID 58715002
7-[(1R,2R,3R,5S)-2-[(3R)-3-[(2R)-4H-1,3-benzodioxin-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
CID 57011257

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol?
The IUPAC name of 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol (CID 22951141) is 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol is CCCC/C=C/CC1C(O)CC(F)C1/C=C/C(O)C1Cc2ccccc2C1.
What is the InChIKey of 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol?
The InChIKey is VEZAOZFANPGAAN-LHELVOSYSA-N. The full InChI is InChI=1S/C24H33FO2/c1-2-3-4-5-6-11-21-20(22(25)16-24(21)27)12-13-23(26)19-14-17-9-7-8-10-18(17)15-19/h5-10,12-13,19-24,26-27H,2-4,11,14-16H2,1H3/b6-5+,13-12+.
What are the key properties of 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol?
3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol has a molecular weight of 372.52 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-4-fluoro-2-[(E)-hept-2-enyl]cyclopentan-1-ol is sourced from PubChem (CID 22951141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).