2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol

C23H29FO — CID 141212068

IUPAC2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol
SMILESCCCCCc1ccc(-c2cccc(C3CCCC(F)C3)c2O)cc1
InChIInChI=1S/C23H29FO/c1-2-3-4-7-17-12-14-18(15-13-17)21-10-6-11-22(23(21)25)19-8-5-9-20(24)16-19/h6,10-15,19-20,25H,2-5,7-9,16H2,1H3
InChIKeyBRLMXBRZIQTJEZ-UHFFFAOYSA-N
MW340.48 g/mol
LogP6.79
Rot. Bonds6

About 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol

2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol (PubChem CID 141212068) has the molecular formula C23H29FO and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol.

Molecular Properties

Compound Name2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol
PubChem CID141212068
Molecular FormulaC23H29FO
Molecular Weight340.48 g/mol
Exact Mass340.22
IUPAC Name2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol
SMILESCCCCCc1ccc(-c2cccc(C3CCCC(F)C3)c2O)cc1
InChIInChI=1S/C23H29FO/c1-2-3-4-7-17-12-14-18(15-13-17)21-10-6-11-22(23(21)25)19-8-5-9-20(24)16-19/h6,10-15,19-20,25H,2-5,7-9,16H2,1H3
InChIKeyBRLMXBRZIQTJEZ-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.48
LogP ≤ 56.79
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-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene
CID 141212079
3-(4-pentylphenyl)benzene-1,2-diol
CID 70366115
2-bromo-6-(4-propylphenyl)phenol
CID 162716525
2-cyclobutyl-1-fluoro-4-pentylbenzene
CID 143474890
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
[2-(3,5-difluorocyclohexyl)-6-(4-ethylphenyl)phenyl]boronic acid
CID 141212078
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
2-methoxy-6-(4-propylphenyl)phenol
CID 83130224
2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
CID 139457352

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol?
The IUPAC name of 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol (CID 141212068) is 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol.
What is the SMILES notation for 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol?
The canonical SMILES for 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol is CCCCCc1ccc(-c2cccc(C3CCCC(F)C3)c2O)cc1.
What is the InChIKey of 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol?
The InChIKey is BRLMXBRZIQTJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FO/c1-2-3-4-7-17-12-14-18(15-13-17)21-10-6-11-22(23(21)25)19-8-5-9-20(24)16-19/h6,10-15,19-20,25H,2-5,7-9,16H2,1H3.
What are the key properties of 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol?
2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol has a molecular weight of 340.48 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohexyl)-6-(4-pentylphenyl)phenol is sourced from PubChem (CID 141212068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).