1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene

C22H30F2O — CID 19436175

IUPAC1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
SMILESCCCC1=CCC(C2CCC(c3ccc(OC(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H30F2O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)25-22(23)24/h4,12-15,17-19,22H,2-3,5-11H2,1H3
InChIKeyJKJCEGJCZJOSEA-UHFFFAOYSA-N
MW348.48 g/mol
LogP7.09
Rot. Bonds6

About 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene

1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene (PubChem CID 19436175) has the molecular formula C22H30F2O and a molecular weight of 348.48 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
PubChem CID19436175
Molecular FormulaC22H30F2O
Molecular Weight348.48 g/mol
Exact Mass348.23
IUPAC Name1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
SMILESCCCC1=CCC(C2CCC(c3ccc(OC(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H30F2O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)25-22(23)24/h4,12-15,17-19,22H,2-3,5-11H2,1H3
InChIKeyJKJCEGJCZJOSEA-UHFFFAOYSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene
CID 139803649
1-[4-(4-decylcyclohexyl)cyclohexyl]-4-(difluoromethoxy)benzene
CID 18658967
2-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870011
2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
CID 122578021
1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
CID 14765980
1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene
CID 70178197
(4aR,6R,8aR)-2-butyl-6-[4-[4-(difluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809473
2-butoxy-6-[4-(difluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139865676
2-[4-(difluoromethoxy)phenyl]-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868354
2-[[4-(difluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 20653958
1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene
CID 126551718
1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
CID 139803705

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene (CID 19436175) is 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene is CCCC1=CCC(C2CCC(c3ccc(OC(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene?
The InChIKey is JKJCEGJCZJOSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)25-22(23)24/h4,12-15,17-19,22H,2-3,5-11H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene?
1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene has a molecular weight of 348.48 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene is sourced from PubChem (CID 19436175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).