4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol

C28H41FO — CID 145235065

IUPAC4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol
SMILESC=CCCC1CCC(c2ccc(C3CCC(C4CCC(O)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C28H41FO/c1-2-3-4-20-5-7-23(8-6-20)25-15-18-27(28(29)19-25)24-11-9-21(10-12-24)22-13-16-26(30)17-14-22/h2,15,18-24,26,30H,1,3-14,16-17H2
InChIKeyDNSFMIAXYCDNJY-UHFFFAOYSA-N
MW412.63 g/mol
LogP7.89
Rot. Bonds6

About 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol

4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol (PubChem CID 145235065) has the molecular formula C28H41FO and a molecular weight of 412.63 g/mol. Its IUPAC name is 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol
PubChem CID145235065
Molecular FormulaC28H41FO
Molecular Weight412.63 g/mol
Exact Mass412.31
IUPAC Name4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol
SMILESC=CCCC1CCC(c2ccc(C3CCC(C4CCC(O)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C28H41FO/c1-2-3-4-20-5-7-23(8-6-20)25-15-18-27(28(29)19-25)24-11-9-21(10-12-24)22-13-16-26(30)17-14-22/h2,15,18-24,26,30H,1,3-14,16-17H2
InChIKeyDNSFMIAXYCDNJY-UHFFFAOYSA-N
XLogP7.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.63
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide
CID 134245771
4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-chloro-2-fluorobenzene
CID 139724795
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 20625439
N-[2-[4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexyl]oxyethyl]prop-2-enamide
CID 134244502
1,2-difluoro-4-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]benzene
CID 139724806
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
5-ethenyl-2-[4-[3-fluoro-4-[4-(fluoromethyl)cyclohexyl]phenyl]cyclohexyl]-1,3-dioxane
CID 88978808
3-(4-but-3-enylcyclohexyl)-7-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2,8-trifluorobiphenylene
CID 134465180
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321
1-(4-but-3-enylcyclohexyl)-2,3-difluorobenzene
CID 134365637
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59246862

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol (CID 145235065) is 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol is C=CCCC1CCC(c2ccc(C3CCC(C4CCC(O)CC4)CC3)c(F)c2)CC1.
What is the InChIKey of 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol?
The InChIKey is DNSFMIAXYCDNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41FO/c1-2-3-4-20-5-7-23(8-6-20)25-15-18-27(28(29)19-25)24-11-9-21(10-12-24)22-13-16-26(30)17-14-22/h2,15,18-24,26,30H,1,3-14,16-17H2.
What are the key properties of 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol?
4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol has a molecular weight of 412.63 g/mol, XLogP of 7.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 145235065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).