4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol

C27H36O2 — CID 123434442

IUPAC4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol
SMILESCCCCCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C27H36O2/c1-2-3-4-5-6-7-12-26(21-10-8-9-11-21)27(22-13-17-24(28)18-14-22)23-15-19-25(29)20-16-23/h13-21,28-29H,2-12H2,1H3
InChIKeyYRNNBLOMFJYYAF-UHFFFAOYSA-N
MW392.58 g/mol
LogP7.84
Rot. Bonds10

About 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol

4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol (PubChem CID 123434442) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol
PubChem CID123434442
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol
SMILESCCCCCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1
InChIInChI=1S/C27H36O2/c1-2-3-4-5-6-7-12-26(21-10-8-9-11-21)27(22-13-17-24(28)18-14-22)23-15-19-25(29)20-16-23/h13-21,28-29H,2-12H2,1H3
InChIKeyYRNNBLOMFJYYAF-UHFFFAOYSA-N
XLogP7.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;4-[2-cyclopentyl-1-(4-hydroxyphenyl)pent-1-enyl]phenol;iron
CID 162289921
4-[2,6-dicyclopentyl-1-(4-hydroxyphenyl)hex-1-enyl]phenol
CID 58381656
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
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron
CID 162301242
(E)-6-(4-butoxyphenyl)-5-cyclopentyl-6-[4-[3-(dimethylamino)propoxy]phenyl]hex-5-en-2-one
CID 162278143
4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol
CID 91472971
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
4-[2-cyclopenta-1,3-dien-1-yl-1-(4-hydroxyphenyl)hept-1-enyl]phenol
CID 118056050
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol?
The IUPAC name of 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol (CID 123434442) is 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol.
What is the SMILES notation for 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol?
The canonical SMILES for 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol is CCCCCCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)C1CCCC1.
What is the InChIKey of 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol?
The InChIKey is YRNNBLOMFJYYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2/c1-2-3-4-5-6-7-12-26(21-10-8-9-11-21)27(22-13-17-24(28)18-14-22)23-15-19-25(29)20-16-23/h13-21,28-29H,2-12H2,1H3.
What are the key properties of 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol?
4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol has a molecular weight of 392.58 g/mol, XLogP of 7.84, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopentyl-1-(4-hydroxyphenyl)dec-1-enyl]phenol is sourced from PubChem (CID 123434442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).