4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol

C26H32O — CID 91472971

IUPAC4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol
SMILESCCC(=C(c1ccccc1)c1ccc(O)cc1)C1CCC(C2CCCC2)C1
InChIInChI=1S/C26H32O/c1-2-25(23-13-12-22(18-23)19-8-6-7-9-19)26(20-10-4-3-5-11-20)21-14-16-24(27)17-15-21/h3-5,10-11,14-17,19,22-23,27H,2,6-9,12-13,18H2,1H3
InChIKeyZPVMRYLDGFLQEU-UHFFFAOYSA-N
MW360.54 g/mol
LogP7.21
Rot. Bonds5

About 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol

4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol (PubChem CID 91472971) has the molecular formula C26H32O and a molecular weight of 360.54 g/mol. Its IUPAC name is 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol
PubChem CID91472971
Molecular FormulaC26H32O
Molecular Weight360.54 g/mol
Exact Mass360.25
IUPAC Name4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol
SMILESCCC(=C(c1ccccc1)c1ccc(O)cc1)C1CCC(C2CCCC2)C1
InChIInChI=1S/C26H32O/c1-2-25(23-13-12-22(18-23)19-8-6-7-9-19)26(20-10-4-3-5-11-20)21-14-16-24(27)17-15-21/h3-5,10-11,14-17,19,22-23,27H,2,6-9,12-13,18H2,1H3
InChIKeyZPVMRYLDGFLQEU-UHFFFAOYSA-N
XLogP7.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol (CID 91472971) is 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol is CCC(=C(c1ccccc1)c1ccc(O)cc1)C1CCC(C2CCCC2)C1.
What is the InChIKey of 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol?
The InChIKey is ZPVMRYLDGFLQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O/c1-2-25(23-13-12-22(18-23)19-8-6-7-9-19)26(20-10-4-3-5-11-20)21-14-16-24(27)17-15-21/h3-5,10-11,14-17,19,22-23,27H,2,6-9,12-13,18H2,1H3.
What are the key properties of 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol?
4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol has a molecular weight of 360.54 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopentylcyclopentyl)-1-phenylbut-1-enyl]phenol is sourced from PubChem (CID 91472971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).