2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene

C26H40F2O — CID 170215398

IUPAC2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCCCCCC1CCC(C2CCC(COc3c(C)cc(C)c(F)c3F)CC2)CC1
InChIInChI=1S/C26H40F2O/c1-4-5-6-7-20-8-12-22(13-9-20)23-14-10-21(11-15-23)17-29-26-19(3)16-18(2)24(27)25(26)28/h16,20-23H,4-15,17H2,1-3H3
InChIKeySICKAPMHXHEMGJ-UHFFFAOYSA-N
MW406.60 g/mol
LogP8.15
Rot. Bonds8

About 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene

2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene (PubChem CID 170215398) has the molecular formula C26H40F2O and a molecular weight of 406.60 g/mol. Its IUPAC name is 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
PubChem CID170215398
Molecular FormulaC26H40F2O
Molecular Weight406.60 g/mol
Exact Mass406.30
IUPAC Name2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCCCCCC1CCC(C2CCC(COc3c(C)cc(C)c(F)c3F)CC2)CC1
InChIInChI=1S/C26H40F2O/c1-4-5-6-7-20-8-12-22(13-9-20)23-14-10-21(11-15-23)17-29-26-19(3)16-18(2)24(27)25(26)28/h16,20-23H,4-15,17H2,1-3H3
InChIKeySICKAPMHXHEMGJ-UHFFFAOYSA-N
XLogP8.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.60
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,6-hexakis[(4-octylcyclohexyl)methoxy]benzene
CID 19870097
2,3-difluoro-1-methoxy-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
CID 19792983
1,2,4-trifluoro-5-[(4-pentylcyclohexyl)methoxy]benzene
CID 15250368
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
2-[4-[(2,3-difluoro-4-methylphenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967271
1-ethoxy-2-fluoro-5-methyl-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]-3-(trifluoromethyl)benzene
CID 59592268
1-butoxy-2,3-difluoro-5-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-[[4-(4-cyclobutylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene;1-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene;1-[[4-(4-cyclopropylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene;1-[[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene;2,3-difluoro-1-methoxy-5-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;3,4-difluoro-1-methyl-5-pentoxy-2-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;3,4-difluoro-1-methyl-5-propoxy-2-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-5-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;molecular hydrogen
CID 160868423
2,3-difluoro-4-[[4-(4-hexylcyclohexyl)cyclohexyl]methoxy]benzonitrile
CID 18639251
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
1,2,8-trifluoro-3-methyl-7-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]biphenylene
CID 134465165
(2R,4aS,6S,8aR)-2-[(2,3,4,5,6-pentafluorophenoxy)methyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 87862554
1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 67895712

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene?
The IUPAC name of 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene (CID 170215398) is 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene.
What is the SMILES notation for 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene?
The canonical SMILES for 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene is CCCCCC1CCC(C2CCC(COc3c(C)cc(C)c(F)c3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene?
The InChIKey is SICKAPMHXHEMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40F2O/c1-4-5-6-7-20-8-12-22(13-9-20)23-14-10-21(11-15-23)17-29-26-19(3)16-18(2)24(27)25(26)28/h16,20-23H,4-15,17H2,1-3H3.
What are the key properties of 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene?
2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene has a molecular weight of 406.60 g/mol, XLogP of 8.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene is sourced from PubChem (CID 170215398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).