1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one

C26H37FO — CID 91356549

IUPAC1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(C2CCC(F)CC2)cc1.C=CC1CCC(CCC)CC1
InChIInChI=1S/C15H17FO.C11H20/c1-2-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12;1-3-5-11-8-6-10(4-2)7-9-11/h2-6,12,14H,1,7-10H2;4,10-11H,2-3,5-9H2,1H3
InChIKeyZZDPRYXRLMXWNV-UHFFFAOYSA-N
MW384.58 g/mol
LogP7.83
Rot. Bonds6

About 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one

1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one (PubChem CID 91356549) has the molecular formula C26H37FO and a molecular weight of 384.58 g/mol. Its IUPAC name is 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one
PubChem CID91356549
Molecular FormulaC26H37FO
Molecular Weight384.58 g/mol
Exact Mass384.28
IUPAC Name1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(C2CCC(F)CC2)cc1.C=CC1CCC(CCC)CC1
InChIInChI=1S/C15H17FO.C11H20/c1-2-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12;1-3-5-11-8-6-10(4-2)7-9-11/h2-6,12,14H,1,7-10H2;4,10-11H,2-3,5-9H2,1H3
InChIKeyZZDPRYXRLMXWNV-UHFFFAOYSA-N
XLogP7.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.58
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
CID 59695799
(4-prop-2-enoylphenyl) 4-(4-propylcyclohexyl)benzoate
CID 59695720
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 173068049
1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]prop-2-en-1-one
CID 59695704
1-[4-[2-[[4-(4-propylcyclohexyl)phenoxy]methoxy]ethynyl]phenyl]prop-2-en-1-one
CID 59695954
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 145309431
N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
CID 134244970
2-bromo-2-methyl-1-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]propan-1-one
CID 22929005
1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one
CID 59695761
1-(4-propylcyclohexyl)-4-(1,3,3,3-tetrafluoroprop-1-enyl)benzene
CID 123420497
[4-(4-propylcyclohexyl)phenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 20645975
1-[4-(4-propylcyclohexyl)phenyl]hexane-1,3-dione
CID 20503141

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one?
The IUPAC name of 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one (CID 91356549) is 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one is C=CC(=O)c1ccc(C2CCC(F)CC2)cc1.C=CC1CCC(CCC)CC1.
What is the InChIKey of 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one?
The InChIKey is ZZDPRYXRLMXWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO.C11H20/c1-2-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12;1-3-5-11-8-6-10(4-2)7-9-11/h2-6,12,14H,1,7-10H2;4,10-11H,2-3,5-9H2,1H3.
What are the key properties of 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one?
1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one has a molecular weight of 384.58 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 91356549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).