2,5-di(cyclononyl)phenol

C24H38O — CID 57426125

IUPAC2,5-di(cyclononyl)phenol
SMILESOc1cc(C2CCCCCCCC2)ccc1C1CCCCCCCC1
InChIInChI=1S/C24H38O/c25-24-19-22(20-13-9-5-1-2-6-10-14-20)17-18-23(24)21-15-11-7-3-4-8-12-16-21/h17-21,25H,1-16H2
InChIKeyJZWCNZKPWBRICX-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.83
Rot. Bonds2

About 2,5-di(cyclononyl)phenol

2,5-di(cyclononyl)phenol (PubChem CID 57426125) has the molecular formula C24H38O and a molecular weight of 342.57 g/mol. Its IUPAC name is 2,5-di(cyclononyl)phenol.

Molecular Properties

Compound Name2,5-di(cyclononyl)phenol
PubChem CID57426125
Molecular FormulaC24H38O
Molecular Weight342.57 g/mol
Exact Mass342.29
IUPAC Name2,5-di(cyclononyl)phenol
SMILESOc1cc(C2CCCCCCCC2)ccc1C1CCCCCCCC1
InChIInChI=1S/C24H38O/c25-24-19-22(20-13-9-5-1-2-6-10-14-20)17-18-23(24)21-15-11-7-3-4-8-12-16-21/h17-21,25H,1-16H2
InChIKeyJZWCNZKPWBRICX-UHFFFAOYSA-N
XLogP7.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-5-(4-cyclopentyl-3-hydroxyphenyl)phenol
CID 142370768
2-cycloheptyl-5-methylphenol
CID 45096882
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
4-cyclodecyl-2-methylphenol
CID 153407623
4-cyclododecyl-2-fluorophenol
CID 146306960
4-cyclohexyl-2-[1,2,2-tris(5-cyclohexyl-2-hydroxyphenyl)ethenyl]phenol
CID 165388703
2-bromo-4-cyclohexylphenol
CID 519121
2-cyclohexyl-5-(trifluoromethyl)phenol
CID 117104272
2-cyclododecylphenol
CID 22381643
3-cyclohexylphenol
CID 16036
1-(4-cyclohexyl-3-hydroxyphenyl)ethanone
CID 53423517

Frequently Asked Questions

What is the IUPAC name of 2,5-di(cyclononyl)phenol?
The IUPAC name of 2,5-di(cyclononyl)phenol (CID 57426125) is 2,5-di(cyclononyl)phenol.
What is the SMILES notation for 2,5-di(cyclononyl)phenol?
The canonical SMILES for 2,5-di(cyclononyl)phenol is Oc1cc(C2CCCCCCCC2)ccc1C1CCCCCCCC1.
What is the InChIKey of 2,5-di(cyclononyl)phenol?
The InChIKey is JZWCNZKPWBRICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O/c25-24-19-22(20-13-9-5-1-2-6-10-14-20)17-18-23(24)21-15-11-7-3-4-8-12-16-21/h17-21,25H,1-16H2.
What are the key properties of 2,5-di(cyclononyl)phenol?
2,5-di(cyclononyl)phenol has a molecular weight of 342.57 g/mol, XLogP of 7.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(cyclononyl)phenol is sourced from PubChem (CID 57426125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).