3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol

C22H23F3O2 — CID 134473056

IUPAC3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol
SMILESCCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)CC1
InChIInChI=1S/C22H23F3O2/c1-2-3-12-4-6-13(7-5-12)11-27-17-9-8-14-15-10-16(26)20(23)22(25)19(15)18(14)21(17)24/h8-10,12-13,26H,2-7,11H2,1H3
InChIKeyVGZQTYYZXYTRJH-UHFFFAOYSA-N
MW376.42 g/mol
LogP6.44
Rot. Bonds5

About 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol

3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol (PubChem CID 134473056) has the molecular formula C22H23F3O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol.

Molecular Properties

Compound Name3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol
PubChem CID134473056
Molecular FormulaC22H23F3O2
Molecular Weight376.42 g/mol
Exact Mass376.17
IUPAC Name3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol
SMILESCCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)CC1
InChIInChI=1S/C22H23F3O2/c1-2-3-12-4-6-13(7-5-12)11-27-17-9-8-14-15-10-16(26)20(23)22(25)19(15)18(14)21(17)24/h8-10,12-13,26H,2-7,11H2,1H3
InChIKeyVGZQTYYZXYTRJH-UHFFFAOYSA-N
XLogP6.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134465092
3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134473076
1,2,8-trifluoro-7-[(4-pentylcyclohexyl)methoxy]-3-propylbiphenylene
CID 134465089
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 58953361
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
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
4-[2-(6-ethoxy-3,4,5-trifluorobiphenylen-2-yl)ethyl]-2,3-difluorophenol
CID 134473123
2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol?
The IUPAC name of 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol (CID 134473056) is 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol.
What is the SMILES notation for 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol?
The canonical SMILES for 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol is CCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)CC1.
What is the InChIKey of 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol?
The InChIKey is VGZQTYYZXYTRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3O2/c1-2-3-12-4-6-13(7-5-12)11-27-17-9-8-14-15-10-16(26)20(23)22(25)19(15)18(14)21(17)24/h8-10,12-13,26H,2-7,11H2,1H3.
What are the key properties of 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol?
3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol has a molecular weight of 376.42 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol is sourced from PubChem (CID 134473056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).