2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol

C23H28O2 — CID 139900091

IUPAC2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(Cc2ccc(O)c(C3CCCC3)c2)cc1C1CCCC1
InChIInChI=1S/C23H28O2/c24-22-11-9-16(14-20(22)18-5-1-2-6-18)13-17-10-12-23(25)21(15-17)19-7-3-4-8-19/h9-12,14-15,18-19,24-25H,1-8,13H2
InChIKeyJHNOBJDMLXANNP-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.00
Rot. Bonds4

About 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol

2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol (PubChem CID 139900091) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol
PubChem CID139900091
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(Cc2ccc(O)c(C3CCCC3)c2)cc1C1CCCC1
InChIInChI=1S/C23H28O2/c24-22-11-9-16(14-20(22)18-5-1-2-6-18)13-17-10-12-23(25)21(15-17)19-7-3-4-8-19/h9-12,14-15,18-19,24-25H,1-8,13H2
InChIKeyJHNOBJDMLXANNP-UHFFFAOYSA-N
XLogP6.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol (CID 139900091) is 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol is Oc1ccc(Cc2ccc(O)c(C3CCCC3)c2)cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol?
The InChIKey is JHNOBJDMLXANNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c24-22-11-9-16(14-20(22)18-5-1-2-6-18)13-17-10-12-23(25)21(15-17)19-7-3-4-8-19/h9-12,14-15,18-19,24-25H,1-8,13H2.
What are the key properties of 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol?
2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol has a molecular weight of 336.48 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[(3-cyclopentyl-4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 139900091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).