2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol

C23H35FO — CID 142281618

IUPAC2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol
SMILESC=C(C)CC(CO)Cc1ccc(C2CCC(CCCCF)CC2)cc1
InChIInChI=1S/C23H35FO/c1-18(2)15-21(17-25)16-20-8-12-23(13-9-20)22-10-6-19(7-11-22)5-3-4-14-24/h8-9,12-13,19,21-22,25H,1,3-7,10-11,14-17H2,2H3
InChIKeyKHCAIYMKKWBWBY-UHFFFAOYSA-N
MW346.53 g/mol
LogP6.22
Rot. Bonds10

About 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol

2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol (PubChem CID 142281618) has the molecular formula C23H35FO and a molecular weight of 346.53 g/mol. Its IUPAC name is 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol
PubChem CID142281618
Molecular FormulaC23H35FO
Molecular Weight346.53 g/mol
Exact Mass346.27
IUPAC Name2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol
SMILESC=C(C)CC(CO)Cc1ccc(C2CCC(CCCCF)CC2)cc1
InChIInChI=1S/C23H35FO/c1-18(2)15-21(17-25)16-20-8-12-23(13-9-20)22-10-6-19(7-11-22)5-3-4-14-24/h8-9,12-13,19,21-22,25H,1,3-7,10-11,14-17H2,2H3
InChIKeyKHCAIYMKKWBWBY-UHFFFAOYSA-N
XLogP6.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.53
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate
CID 134246556
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220
1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 21265277
[2-(hydroxymethyl)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]butyl] 2-methylidenebutanoate
CID 146659711
2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 142282850
[2-[[4-[4-[2-[4-(4-fluorobutyl)cyclohexyl]ethyl]phenyl]phenyl]methyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-(hydroxymethyl)prop-2-enoate
CID 134246562
1-[2-fluoro-2-(4-propylcyclohexyl)ethyl]-4-(4-pentylcyclohexyl)benzene
CID 18605267
2-(methoxymethyl)-3-[6-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]naphthalen-2-yl]propan-1-ol;2-methylprop-2-enal
CID 142282721
[2-methyl-2-(2-methylprop-2-enoyloxymethyl)-4-[4-(4-pentylcyclohexyl)phenyl]butyl] 5-hydroxy-4-(hydroxymethyl)-2-methylidenepentanoate
CID 138529750
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
[3,5-bis(2-methylprop-2-enoyloxymethyl)-6-[4-(4-pentylcyclohexyl)phenyl]hexyl] 2-(hydroxymethyl)prop-2-enoate
CID 134246733
formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 142282678

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol?
The IUPAC name of 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol (CID 142281618) is 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol.
What is the SMILES notation for 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol?
The canonical SMILES for 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol is C=C(C)CC(CO)Cc1ccc(C2CCC(CCCCF)CC2)cc1.
What is the InChIKey of 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol?
The InChIKey is KHCAIYMKKWBWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FO/c1-18(2)15-21(17-25)16-20-8-12-23(13-9-20)22-10-6-19(7-11-22)5-3-4-14-24/h8-9,12-13,19,21-22,25H,1,3-7,10-11,14-17H2,2H3.
What are the key properties of 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol?
2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol has a molecular weight of 346.53 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(4-fluorobutyl)cyclohexyl]phenyl]methyl]-4-methylpent-4-en-1-ol is sourced from PubChem (CID 142281618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).