(Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

C23H30O6 — CID 71450881

IUPAC(Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@@H](O)[C@H]2Cc3ccccc3O2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C23H30O6/c24-18(22-13-15-7-5-6-9-21(15)29-22)12-11-17-16(19(25)14-20(17)26)8-3-1-2-4-10-23(27)28/h1,3,5-7,9,11-12,16-20,22,24-26H,2,4,8,10,13-14H2,(H,27,28)/b3-1-,12-11+/t16-,17?,18-,19+,20-,22-/m1/s1
InChIKeyFWDLFXCIZVLKES-XUXOPNMOSA-N
MW402.49 g/mol
LogP2.47
Rot. Bonds9

About (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (PubChem CID 71450881) has the molecular formula C23H30O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
PubChem CID71450881
Molecular FormulaC23H30O6
Molecular Weight402.49 g/mol
Exact Mass402.20
IUPAC Name(Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@@H](O)[C@H]2Cc3ccccc3O2)[C@H](O)C[C@@H]1O
InChIInChI=1S/C23H30O6/c24-18(22-13-15-7-5-6-9-21(15)29-22)12-11-17-16(19(25)14-20(17)26)8-3-1-2-4-10-23(27)28/h1,3,5-7,9,11-12,16-20,22,24-26H,2,4,8,10,13-14H2,(H,27,28)/b3-1-,12-11+/t16-,17?,18-,19+,20-,22-/m1/s1
InChIKeyFWDLFXCIZVLKES-XUXOPNMOSA-N
XLogP2.47
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid (CID 71450881) is (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@@H]1C(/C=C/[C@@H](O)[C@H]2Cc3ccccc3O2)[C@H](O)C[C@@H]1O.
What is the InChIKey of (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
The InChIKey is FWDLFXCIZVLKES-XUXOPNMOSA-N. The full InChI is InChI=1S/C23H30O6/c24-18(22-13-15-7-5-6-9-21(15)29-22)12-11-17-16(19(25)14-20(17)26)8-3-1-2-4-10-23(27)28/h1,3,5-7,9,11-12,16-20,22,24-26H,2,4,8,10,13-14H2,(H,27,28)/b3-1-,12-11+/t16-,17?,18-,19+,20-,22-/m1/s1.
What are the key properties of (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid has a molecular weight of 402.49 g/mol, XLogP of 2.47, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,3R,5S)-2-[(E,3R)-3-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 71450881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).