4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol

C25H40O — CID 139983091

IUPAC4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
SMILESCCCCCCCC1CCC(C2CCC(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C25H40O/c1-2-3-4-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h16-23,26H,2-15H2,1H3
InChIKeyUNFSOMACXRHJLP-UHFFFAOYSA-N
MW356.59 g/mol
LogP7.83
Rot. Bonds8

About 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol

4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol (PubChem CID 139983091) has the molecular formula C25H40O and a molecular weight of 356.59 g/mol. Its IUPAC name is 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
PubChem CID139983091
Molecular FormulaC25H40O
Molecular Weight356.59 g/mol
Exact Mass356.31
IUPAC Name4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
SMILESCCCCCCCC1CCC(C2CCC(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C25H40O/c1-2-3-4-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h16-23,26H,2-15H2,1H3
InChIKeyUNFSOMACXRHJLP-UHFFFAOYSA-N
XLogP7.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenoxy]propan-1-ol
CID 159280590
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol?
The IUPAC name of 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol (CID 139983091) is 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol.
What is the SMILES notation for 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol?
The canonical SMILES for 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol is CCCCCCCC1CCC(C2CCC(c3ccc(O)cc3)CC2)CC1.
What is the InChIKey of 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol?
The InChIKey is UNFSOMACXRHJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O/c1-2-3-4-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-18-25(26)19-17-24/h16-23,26H,2-15H2,1H3.
What are the key properties of 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol?
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol has a molecular weight of 356.59 g/mol, XLogP of 7.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol is sourced from PubChem (CID 139983091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).