3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene

C29H35F3O2 — CID 134473076

IUPAC3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
SMILESCCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(OCC3CCCCC3)c(F)c2F)CC1
InChIInChI=1S/C29H35F3O2/c1-2-6-18-9-11-20(12-10-18)17-33-23-14-13-21-22-15-24(34-16-19-7-4-3-5-8-19)28(31)29(32)26(22)25(21)27(23)30/h13-15,18-20H,2-12,16-17H2,1H3
InChIKeyTVJQZVYHFVNWCR-UHFFFAOYSA-N
MW472.59 g/mol
LogP8.70
Rot. Bonds8

About 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene

3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene (PubChem CID 134473076) has the molecular formula C29H35F3O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
PubChem CID134473076
Molecular FormulaC29H35F3O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
SMILESCCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(OCC3CCCCC3)c(F)c2F)CC1
InChIInChI=1S/C29H35F3O2/c1-2-6-18-9-11-20(12-10-18)17-33-23-14-13-21-22-15-24(34-16-19-7-4-3-5-8-19)28(31)29(32)26(22)25(21)27(23)30/h13-15,18-20H,2-12,16-17H2,1H3
InChIKeyTVJQZVYHFVNWCR-UHFFFAOYSA-N
XLogP8.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene with MolForge

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Related Compounds

1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134465092
3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol
CID 134473056
1,2,8-trifluoro-7-[(4-pentylcyclohexyl)methoxy]-3-propylbiphenylene
CID 134465089
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 58953361
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
CID 162718702
2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
CID 153282428
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene?
The IUPAC name of 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene (CID 134473076) is 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene.
What is the SMILES notation for 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene?
The canonical SMILES for 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene is CCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(OCC3CCCCC3)c(F)c2F)CC1.
What is the InChIKey of 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene?
The InChIKey is TVJQZVYHFVNWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3O2/c1-2-6-18-9-11-20(12-10-18)17-33-23-14-13-21-22-15-24(34-16-19-7-4-3-5-8-19)28(31)29(32)26(22)25(21)27(23)30/h13-15,18-20H,2-12,16-17H2,1H3.
What are the key properties of 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene?
3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene has a molecular weight of 472.59 g/mol, XLogP of 8.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene is sourced from PubChem (CID 134473076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).