2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene

C25H31FO — CID 67571729

IUPAC2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene
SMILESC=CCOCc1ccc(-c2ccccc2C2CCC(CCC)CC2)cc1F
InChIInChI=1S/C25H31FO/c1-3-7-19-10-12-20(13-11-19)23-8-5-6-9-24(23)21-14-15-22(25(26)17-21)18-27-16-4-2/h4-6,8-9,14-15,17,19-20H,2-3,7,10-13,16,18H2,1H3
InChIKeyDEGVNHPLVCDSLW-UHFFFAOYSA-N
MW366.52 g/mol
LogP7.27
Rot. Bonds8

About 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene

2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 67571729) has the molecular formula C25H31FO and a molecular weight of 366.52 g/mol. Its IUPAC name is 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene
PubChem CID67571729
Molecular FormulaC25H31FO
Molecular Weight366.52 g/mol
Exact Mass366.24
IUPAC Name2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene
SMILESC=CCOCc1ccc(-c2ccccc2C2CCC(CCC)CC2)cc1F
InChIInChI=1S/C25H31FO/c1-3-7-19-10-12-20(13-11-19)23-8-5-6-9-24(23)21-14-15-22(25(26)17-21)18-27-16-4-2/h4-6,8-9,14-15,17,19-20H,2-3,7,10-13,16,18H2,1H3
InChIKeyDEGVNHPLVCDSLW-UHFFFAOYSA-N
XLogP7.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.52
LogP ≤ 57.27
H-Bond Donors ≤ 50
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

1,3-difluoro-2-(methoxymethyl)-5-[2-(4-propylcyclohexyl)phenyl]benzene
CID 67571251
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67730219
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
2-fluoro-4-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene
CID 22131663
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-hexylbenzene
CID 67730226
1-[4-[2-(4-ethyl-3-fluorophenyl)ethenyl]phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 77470860
1,3-difluoro-5-[2-[4-(3-methylidenepentyl)cyclohexyl]phenyl]-2-(trifluoromethyl)benzene
CID 22131655
1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene
CID 175593221
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene (CID 67571729) is 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene is C=CCOCc1ccc(-c2ccccc2C2CCC(CCC)CC2)cc1F.
What is the InChIKey of 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is DEGVNHPLVCDSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FO/c1-3-7-19-10-12-20(13-11-19)23-8-5-6-9-24(23)21-14-15-22(25(26)17-21)18-27-16-4-2/h4-6,8-9,14-15,17,19-20H,2-3,7,10-13,16,18H2,1H3.
What are the key properties of 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene?
2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 366.52 g/mol, XLogP of 7.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(prop-2-enoxymethyl)-4-[2-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 67571729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).