4-[4-(4-pentylcyclohexyl)butyl]phenol

C21H34O — CID 19371124

IUPAC4-[4-(4-pentylcyclohexyl)butyl]phenol
SMILESCCCCCC1CCC(CCCCc2ccc(O)cc2)CC1
InChIInChI=1S/C21H34O/c1-2-3-4-7-18-10-12-19(13-11-18)8-5-6-9-20-14-16-21(22)17-15-20/h14-19,22H,2-13H2,1H3
InChIKeyMQFVOXSJXRHFEA-UHFFFAOYSA-N
MW302.50 g/mol
LogP6.49
Rot. Bonds9

About 4-[4-(4-pentylcyclohexyl)butyl]phenol

4-[4-(4-pentylcyclohexyl)butyl]phenol (PubChem CID 19371124) has the molecular formula C21H34O and a molecular weight of 302.50 g/mol. Its IUPAC name is 4-[4-(4-pentylcyclohexyl)butyl]phenol.

Molecular Properties

Compound Name4-[4-(4-pentylcyclohexyl)butyl]phenol
PubChem CID19371124
Molecular FormulaC21H34O
Molecular Weight302.50 g/mol
Exact Mass302.26
IUPAC Name4-[4-(4-pentylcyclohexyl)butyl]phenol
SMILESCCCCCC1CCC(CCCCc2ccc(O)cc2)CC1
InChIInChI=1S/C21H34O/c1-2-3-4-7-18-10-12-19(13-11-18)8-5-6-9-20-14-16-21(22)17-15-20/h14-19,22H,2-13H2,1H3
InChIKeyMQFVOXSJXRHFEA-UHFFFAOYSA-N
XLogP6.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 56.49
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

1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
4-[5-(4-hydroxycyclohexyl)pentyl]phenol
CID 15052392
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pentylcyclohexyl)butyl]phenol?
The IUPAC name of 4-[4-(4-pentylcyclohexyl)butyl]phenol (CID 19371124) is 4-[4-(4-pentylcyclohexyl)butyl]phenol.
What is the SMILES notation for 4-[4-(4-pentylcyclohexyl)butyl]phenol?
The canonical SMILES for 4-[4-(4-pentylcyclohexyl)butyl]phenol is CCCCCC1CCC(CCCCc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-(4-pentylcyclohexyl)butyl]phenol?
The InChIKey is MQFVOXSJXRHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O/c1-2-3-4-7-18-10-12-19(13-11-18)8-5-6-9-20-14-16-21(22)17-15-20/h14-19,22H,2-13H2,1H3.
What are the key properties of 4-[4-(4-pentylcyclohexyl)butyl]phenol?
4-[4-(4-pentylcyclohexyl)butyl]phenol has a molecular weight of 302.50 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pentylcyclohexyl)butyl]phenol is sourced from PubChem (CID 19371124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).