cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron

C27H36FeO2 — CID 162289921

IUPACcyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron
SMILESC1CCCC1.CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.[Fe]
InChIInChI=1S/C22H26O2.C5H10.Fe/c1-2-5-21(16-6-3-4-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18;1-2-4-5-3-1;/h8-16,23-24H,2-7H2,1H3;1-5H2;
InChIKeyWYYZEOHWQPPYIU-UHFFFAOYSA-N
MW448.43 g/mol
LogP7.84
Rot. Bonds5

About cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron

cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron (PubChem CID 162289921) has the molecular formula C27H36FeO2 and a molecular weight of 448.43 g/mol. Its IUPAC name is cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron.

Molecular Properties

Compound Namecyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron
PubChem CID162289921
Molecular FormulaC27H36FeO2
Molecular Weight448.43 g/mol
Exact Mass448.21
IUPAC Namecyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron
SMILESC1CCCC1.CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.[Fe]
InChIInChI=1S/C22H26O2.C5H10.Fe/c1-2-5-21(16-6-3-4-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18;1-2-4-5-3-1;/h8-16,23-24H,2-7H2,1H3;1-5H2;
InChIKeyWYYZEOHWQPPYIU-UHFFFAOYSA-N
XLogP7.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.43
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol
CID 123434442
4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol
CID 58381656
4-[(E)-2-cyclopentyl-1-(4-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)pent-1-enyl]phenol
CID 134291799
tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron
CID 162284270
cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron
CID 162301242
4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol
CID 91472971
4-[5-chloro-2-(3-cyclopentylcyclopentyl)-1-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 129225796
1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
CID 134291941
4-[2,4-dicyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;1,3-dicyclopentylpropan-1-one;(4-hydroxycyclohexa-2,4-dien-1-yl)-(4-hydroxyphenyl)methanone;iron
CID 162300841
4-[1-(4-hydroxyphenyl)-2-(4-methylphenyl)pent-1-enyl]phenol
CID 143470528
5-cyclopentyl-6-(4-methylphenyl)-6-phenylhex-5-en-2-one
CID 162278138
4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol
CID 145429967

Frequently Asked Questions

What is the IUPAC name of cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron?
The IUPAC name of cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron (CID 162289921) is cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron.
What is the SMILES notation for cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron?
The canonical SMILES for cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron is C1CCCC1.CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.[Fe].
What is the InChIKey of cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron?
The InChIKey is WYYZEOHWQPPYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2.C5H10.Fe/c1-2-5-21(16-6-3-4-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18;1-2-4-5-3-1;/h8-16,23-24H,2-7H2,1H3;1-5H2;.
What are the key properties of cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron?
cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron has a molecular weight of 448.43 g/mol, XLogP of 7.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron is sourced from PubChem (CID 162289921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).