2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene

C31H43FO — CID 70305889

IUPAC2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(C(CC)OC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C31H43FO/c1-4-6-22-7-9-23(10-8-22)24-11-15-26(16-12-24)29-20-19-28(21-30(29)32)25-13-17-27(18-14-25)31(5-2)33-3/h11-12,15-16,19-23,25,27,31H,4-10,13-14,17-18H2,1-3H3
InChIKeyKQRMSJPLOWEXIX-UHFFFAOYSA-N
MW450.68 g/mol
LogP9.27
Rot. Bonds8

About 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene

2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 70305889) has the molecular formula C31H43FO and a molecular weight of 450.68 g/mol. Its IUPAC name is 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID70305889
Molecular FormulaC31H43FO
Molecular Weight450.68 g/mol
Exact Mass450.33
IUPAC Name2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(C4CCC(C(CC)OC)CC4)cc3F)cc2)CC1
InChIInChI=1S/C31H43FO/c1-4-6-22-7-9-23(10-8-22)24-11-15-26(16-12-24)29-20-19-28(21-30(29)32)25-13-17-27(18-14-25)31(5-2)33-3/h11-12,15-16,19-23,25,27,31H,4-10,13-14,17-18H2,1-3H3
InChIKeyKQRMSJPLOWEXIX-UHFFFAOYSA-N
XLogP9.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.68
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene with MolForge

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Related Compounds

2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
CID 19080554
CID 19080554
CID 19609422
CID 19609422
CID 19080569
CID 19080569
(4-ethoxyphenyl) [4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl] carbonate
CID 70484285
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
tris(4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);bis(4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-pentylcyclohexyl)benzene);bis(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene);methane
CID 157086367
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
CID 67729720
2-fluoro-1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139656988

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene (CID 70305889) is 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3ccc(C4CCC(C(CC)OC)CC4)cc3F)cc2)CC1.
What is the InChIKey of 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is KQRMSJPLOWEXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43FO/c1-4-6-22-7-9-23(10-8-22)24-11-15-26(16-12-24)29-20-19-28(21-30(29)32)25-13-17-27(18-14-25)31(5-2)33-3/h11-12,15-16,19-23,25,27,31H,4-10,13-14,17-18H2,1-3H3.
What are the key properties of 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene?
2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 450.68 g/mol, XLogP of 9.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(1-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 70305889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).