4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol

C25H40O — CID 57234635

IUPAC4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
SMILESCCCC1CCC(CCC(Cc2ccc(O)cc2)C2CCCCC2)CC1
InChIInChI=1S/C25H40O/c1-2-6-20-9-11-21(12-10-20)13-16-24(23-7-4-3-5-8-23)19-22-14-17-25(26)18-15-22/h14-15,17-18,20-21,23-24,26H,2-13,16,19H2,1H3
InChIKeyRXRBKESUFAAEND-UHFFFAOYSA-N
MW356.59 g/mol
LogP7.52
Rot. Bonds8

About 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol

4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol (PubChem CID 57234635) has the molecular formula C25H40O and a molecular weight of 356.59 g/mol. Its IUPAC name is 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol.

Molecular Properties

Compound Name4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
PubChem CID57234635
Molecular FormulaC25H40O
Molecular Weight356.59 g/mol
Exact Mass356.31
IUPAC Name4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol
SMILESCCCC1CCC(CCC(Cc2ccc(O)cc2)C2CCCCC2)CC1
InChIInChI=1S/C25H40O/c1-2-6-20-9-11-21(12-10-20)13-16-24(23-7-4-3-5-8-23)19-22-14-17-25(26)18-15-22/h14-15,17-18,20-21,23-24,26H,2-13,16,19H2,1H3
InChIKeyRXRBKESUFAAEND-UHFFFAOYSA-N
XLogP7.52
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 ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]-4-(4-pentylcyclohexyl)benzene
CID 57252818
4-[2-[(4-propylcyclohexyl)amino]propyl]phenol
CID 78943354
4-[2-cyclohexyl-4-(4-heptylcyclohexyl)butyl]-1,2-difluorobenzene
CID 57043862
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 150463835
4-[4-(4-butylcyclohexyl)-2-fluorohexyl]phenol
CID 70485947
4-[2-(cyclopentylmethyl)butyl]phenol
CID 57064964
1-[2-cyclohexyl-2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethoxy)benzene
CID 150456742
2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 76937313
1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene
CID 139711194
2-(4-bromophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425315
4-[2-[(4-cyclohexyl-4-hydroxybutyl)-propylamino]pentyl]phenol
CID 70415243

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol?
The IUPAC name of 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol (CID 57234635) is 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol.
What is the SMILES notation for 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol?
The canonical SMILES for 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol is CCCC1CCC(CCC(Cc2ccc(O)cc2)C2CCCCC2)CC1.
What is the InChIKey of 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol?
The InChIKey is RXRBKESUFAAEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O/c1-2-6-20-9-11-21(12-10-20)13-16-24(23-7-4-3-5-8-23)19-22-14-17-25(26)18-15-22/h14-15,17-18,20-21,23-24,26H,2-13,16,19H2,1H3.
What are the key properties of 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol?
4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol has a molecular weight of 356.59 g/mol, XLogP of 7.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclohexyl-4-(4-propylcyclohexyl)butyl]phenol is sourced from PubChem (CID 57234635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).