4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol

C24H41NO2 — CID 70415243

IUPAC4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol
SMILESCCCC(Cc1ccc(O)cc1)N(CCC)CCCC(O)C1CCCCC1
InChIInChI=1S/C24H41NO2/c1-3-9-22(19-20-13-15-23(26)16-14-20)25(17-4-2)18-8-12-24(27)21-10-6-5-7-11-21/h13-16,21-22,24,26-27H,3-12,17-19H2,1-2H3
InChIKeyWOKJRPMHGRIFDS-UHFFFAOYSA-N
MW375.60 g/mol
LogP5.54
Rot. Bonds12

About 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol

4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol (PubChem CID 70415243) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol.

Molecular Properties

Compound Name4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol
PubChem CID70415243
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol
SMILESCCCC(Cc1ccc(O)cc1)N(CCC)CCCC(O)C1CCCCC1
InChIInChI=1S/C24H41NO2/c1-3-9-22(19-20-13-15-23(26)16-14-20)25(17-4-2)18-8-12-24(27)21-10-6-5-7-11-21/h13-16,21-22,24,26-27H,3-12,17-19H2,1-2H3
InChIKeyWOKJRPMHGRIFDS-UHFFFAOYSA-N
XLogP5.54
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
CID 57234635
1-cyclooctylundecan-1-ol
CID 80603651
1-cyclobutyl-2-(4-ethylphenyl)ethanol
CID 64986891
1-cyclohexyl-2-(4-propan-2-ylphenyl)ethanol
CID 63410841
4-[2-(cyclopentylmethyl)butyl]phenol
CID 57064964
1-(4-hydroxyphenyl)heptane-2,3-diol
CID 91525672
1-cyclohexylheptane-1,7-diol
CID 67923944
1-cyclohexyldodecane-1,12-diol
CID 11161921
1-(4-hydroxyphenyl)octane-2,3-diol
CID 91510264
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097
4-[cyclohexyl(propyl)amino]phenol
CID 57283531
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol?
The IUPAC name of 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol (CID 70415243) is 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol.
What is the SMILES notation for 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol?
The canonical SMILES for 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol is CCCC(Cc1ccc(O)cc1)N(CCC)CCCC(O)C1CCCCC1.
What is the InChIKey of 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol?
The InChIKey is WOKJRPMHGRIFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-3-9-22(19-20-13-15-23(26)16-14-20)25(17-4-2)18-8-12-24(27)21-10-6-5-7-11-21/h13-16,21-22,24,26-27H,3-12,17-19H2,1-2H3.
What are the key properties of 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol?
4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol has a molecular weight of 375.60 g/mol, XLogP of 5.54, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol is sourced from PubChem (CID 70415243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).