cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron

C35H41FeNO4 — CID 162301242

IUPACcyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron
SMILESC1CCCC1.O=C1c2ccccc2C(O)N1CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.[Fe]
InChIInChI=1S/C30H31NO4.C5H10.Fe/c32-23-15-11-21(12-16-23)28(22-13-17-24(33)18-14-22)25(20-6-1-2-7-20)10-5-19-31-29(34)26-8-3-4-9-27(26)30(31)35;1-2-4-5-3-1;/h3-4,8-9,11-18,20,29,32-34H,1-2,5-7,10,19H2;1-5H2;
InChIKeyVRGNXHJIOTZVBS-UHFFFAOYSA-N
MW595.56 g/mol
LogP7.97
Rot. Bonds7

About cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron

cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron (PubChem CID 162301242) has the molecular formula C35H41FeNO4 and a molecular weight of 595.56 g/mol. Its IUPAC name is cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron.

Molecular Properties

Compound Namecyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron
PubChem CID162301242
Molecular FormulaC35H41FeNO4
Molecular Weight595.56 g/mol
Exact Mass595.24
IUPAC Namecyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron
SMILESC1CCCC1.O=C1c2ccccc2C(O)N1CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.[Fe]
InChIInChI=1S/C30H31NO4.C5H10.Fe/c32-23-15-11-21(12-16-23)28(22-13-17-24(33)18-14-22)25(20-6-1-2-7-20)10-5-19-31-29(34)26-8-3-4-9-27(26)30(31)35;1-2-4-5-3-1;/h3-4,8-9,11-18,20,29,32-34H,1-2,5-7,10,19H2;1-5H2;
InChIKeyVRGNXHJIOTZVBS-UHFFFAOYSA-N
XLogP7.97
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.56
LogP ≤ 57.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron with MolForge

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

Launch Full Analysis

Related Compounds

2-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]-3-hydroxy-3H-isoindol-1-one;1,2-dimethylidenecyclopropane
CID 144836722
1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 134291941
cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron
CID 162289921
(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one
CID 41068708
4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol
CID 58381656
2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one
CID 129298800
(3R)-3-hydroxy-2-(2-pyrrolidin-1-ium-1-ylethyl)-3H-isoindol-1-one
CID 7315757
2-[3-(4-cyclohexylphenyl)but-2-enyl]-3-hydroxy-3H-isoindol-1-one
CID 110209375
(E)-6-(1-hydroxy-3-oxo-1H-isoindol-2-yl)hex-2-enal
CID 171622818
2-[4-(4-benzylpiperazin-1-yl)butyl]-3-hydroxy-3H-isoindol-1-one
CID 123137184
3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one
CID 10658286
2-[(E)-but-2-enyl]-3-hydroxy-3H-isoindol-1-one
CID 121010627

Frequently Asked Questions

What is the IUPAC name of cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron?
The IUPAC name of cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron (CID 162301242) is cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron.
What is the SMILES notation for cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron?
The canonical SMILES for cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron is C1CCCC1.O=C1c2ccccc2C(O)N1CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.[Fe].
What is the InChIKey of cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron?
The InChIKey is VRGNXHJIOTZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO4.C5H10.Fe/c32-23-15-11-21(12-16-23)28(22-13-17-24(33)18-14-22)25(20-6-1-2-7-20)10-5-19-31-29(34)26-8-3-4-9-27(26)30(31)35;1-2-4-5-3-1;/h3-4,8-9,11-18,20,29,32-34H,1-2,5-7,10,19H2;1-5H2;.
What are the key properties of cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron?
cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron has a molecular weight of 595.56 g/mol, XLogP of 7.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron is sourced from PubChem (CID 162301242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).