4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol

C29H48O — CID 19846809

IUPAC4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
SMILESCCCCCCCC1CCC(C(C)C2CCC(C(C)c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C29H48O/c1-4-5-6-7-8-9-24-10-12-25(13-11-24)22(2)26-14-16-27(17-15-26)23(3)28-18-20-29(30)21-19-28/h18-27,30H,4-17H2,1-3H3
InChIKeySCWYKXNMNOLCAT-UHFFFAOYSA-N
MW412.70 g/mol
LogP9.11
Rot. Bonds10

About 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol

4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol (PubChem CID 19846809) has the molecular formula C29H48O and a molecular weight of 412.70 g/mol. Its IUPAC name is 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
PubChem CID19846809
Molecular FormulaC29H48O
Molecular Weight412.70 g/mol
Exact Mass412.37
IUPAC Name4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
SMILESCCCCCCCC1CCC(C(C)C2CCC(C(C)c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C29H48O/c1-4-5-6-7-8-9-24-10-12-25(13-11-24)22(2)26-14-16-27(17-15-26)23(3)28-18-20-29(30)21-19-28/h18-27,30H,4-17H2,1-3H3
InChIKeySCWYKXNMNOLCAT-UHFFFAOYSA-N
XLogP9.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol with MolForge

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Related Compounds

1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
CID 19846789
1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 19846736
1-isothiocyanato-4-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 88597674
2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 19765579
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 173303525
4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one
CID 18964399
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine
CID 19765560
5-[2-fluoro-4-[1-(4-pentylcyclohexyl)ethyl]phenyl]-2-(trifluoromethyl)pyridine
CID 19765398
(4-aminophenyl) 4-[1-(4-hexylcyclohexyl)ethyl]cyclohexane-1-carboxylate
CID 22157228

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol?
The IUPAC name of 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol (CID 19846809) is 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol.
What is the SMILES notation for 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol?
The canonical SMILES for 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol is CCCCCCCC1CCC(C(C)C2CCC(C(C)c3ccc(O)cc3)CC2)CC1.
What is the InChIKey of 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol?
The InChIKey is SCWYKXNMNOLCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48O/c1-4-5-6-7-8-9-24-10-12-25(13-11-24)22(2)26-14-16-27(17-15-26)23(3)28-18-20-29(30)21-19-28/h18-27,30H,4-17H2,1-3H3.
What are the key properties of 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol?
4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol has a molecular weight of 412.70 g/mol, XLogP of 9.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol is sourced from PubChem (CID 19846809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).