4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol

C42H52O2 — CID 157497488

IUPAC4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol
SMILESCC(C)(C)c1cc(-c2ccc(C3CCCC3)cc2)cc(C(C)(C)C)c1O.Oc1ccc(-c2ccc(C3CCCC3)cc2)cc1
InChIInChI=1S/C25H34O.C17H18O/c1-24(2,3)21-15-20(16-22(23(21)26)25(4,5)6)19-13-11-18(12-14-19)17-9-7-8-10-17;18-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-3-1-2-4-13/h11-17,26H,7-10H2,1-6H3;5-13,18H,1-4H2
InChIKeyBXZUBLBITVENGH-UHFFFAOYSA-N
MW588.88 g/mol
LogP12.03
Rot. Bonds4

About 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol

4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol (PubChem CID 157497488) has the molecular formula C42H52O2 and a molecular weight of 588.88 g/mol. Its IUPAC name is 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol.

Molecular Properties

Compound Name4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol
PubChem CID157497488
Molecular FormulaC42H52O2
Molecular Weight588.88 g/mol
Exact Mass588.40
IUPAC Name4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol
SMILESCC(C)(C)c1cc(-c2ccc(C3CCCC3)cc2)cc(C(C)(C)C)c1O.Oc1ccc(-c2ccc(C3CCCC3)cc2)cc1
InChIInChI=1S/C25H34O.C17H18O/c1-24(2,3)21-15-20(16-22(23(21)26)25(4,5)6)19-13-11-18(12-14-19)17-9-7-8-10-17;18-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-3-1-2-4-13/h11-17,26H,7-10H2,1-6H3;5-13,18H,1-4H2
InChIKeyBXZUBLBITVENGH-UHFFFAOYSA-N
XLogP12.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.88
LogP ≤ 512.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-(4-cyclohexylphenyl)phenol
CID 19694694
2,6-ditert-butyl-4-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 139930956
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-[1-(4-cyclobutylphenyl)-1-hydroxyethyl]phenol
CID 116505479
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
3-tert-butyl-4-[1-(2-tert-butyl-4-hydroxyphenyl)-4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 139930954
2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
CID 165040485
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
CID 174733331
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 136694939
(4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium
CID 58820907

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol?
The IUPAC name of 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol (CID 157497488) is 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol.
What is the SMILES notation for 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol?
The canonical SMILES for 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol is CC(C)(C)c1cc(-c2ccc(C3CCCC3)cc2)cc(C(C)(C)C)c1O.Oc1ccc(-c2ccc(C3CCCC3)cc2)cc1.
What is the InChIKey of 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol?
The InChIKey is BXZUBLBITVENGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O.C17H18O/c1-24(2,3)21-15-20(16-22(23(21)26)25(4,5)6)19-13-11-18(12-14-19)17-9-7-8-10-17;18-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-3-1-2-4-13/h11-17,26H,7-10H2,1-6H3;5-13,18H,1-4H2.
What are the key properties of 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol?
4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol has a molecular weight of 588.88 g/mol, XLogP of 12.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol is sourced from PubChem (CID 157497488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).