6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene

C32H41F3O2 — CID 59795300

IUPAC6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCc1ccc(C2CCC(c3cc4c(c(C(F)(F)F)c3)OC(COC3CCC(C)CC3)CC4)CC2)cc1
InChIInChI=1S/C32H41F3O2/c1-3-22-6-8-23(9-7-22)24-10-12-25(13-11-24)27-18-26-14-17-29(20-36-28-15-4-21(2)5-16-28)37-31(26)30(19-27)32(33,34)35/h6-9,18-19,21,24-25,28-29H,3-5,10-17,20H2,1-2H3
InChIKeyRWHWNQCSDVQPMK-UHFFFAOYSA-N
MW514.67 g/mol
LogP9.00
Rot. Bonds6

About 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene

6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 59795300) has the molecular formula C32H41F3O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID59795300
Molecular FormulaC32H41F3O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC Name6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCc1ccc(C2CCC(c3cc4c(c(C(F)(F)F)c3)OC(COC3CCC(C)CC3)CC4)CC2)cc1
InChIInChI=1S/C32H41F3O2/c1-3-22-6-8-23(9-7-22)24-10-12-25(13-11-24)27-18-26-14-17-29(20-36-28-15-4-21(2)5-16-28)37-31(26)30(19-27)32(33,34)35/h6-9,18-19,21,24-25,28-29H,3-5,10-17,20H2,1-2H3
InChIKeyRWHWNQCSDVQPMK-UHFFFAOYSA-N
XLogP9.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene with MolForge

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Related Compounds

6-(4-cyclohexylcyclohexyl)-2-ethyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 162549687
ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 144529338
8-fluoro-2-(4-methylcyclohexyl)-6-[(E)-2-[4-(4-propylphenyl)cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
CID 59795137
1-(4-ethylphenyl)-2-fluoro-4-[4-[4-(4-methylcyclohexyl)oxybutoxy]cyclohexyl]benzene
CID 59265436
6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
CID 59795281
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
2-[[4-(4-fluorophenyl)cyclohexyl]oxymethyl]oxirane
CID 59790559
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
2-fluoro-4-[(E)-2-[4-(4-octoxycyclohexyl)phenyl]ethenyl]-1-(trifluoromethyl)benzene
CID 90049197
1-[2-(3,4-dimethylphenyl)-1,1-difluoroethyl]-2-methyl-4-(4-methylcyclohexyl)benzene
CID 156648938
8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
CID 58660633
5-[4-[[4-(4-ethylphenyl)cyclohexyl]methoxy]cyclohexyl]pent-2-enenitrile
CID 54190385

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 59795300) is 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene is CCc1ccc(C2CCC(c3cc4c(c(C(F)(F)F)c3)OC(COC3CCC(C)CC3)CC4)CC2)cc1.
What is the InChIKey of 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is RWHWNQCSDVQPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41F3O2/c1-3-22-6-8-23(9-7-22)24-10-12-25(13-11-24)27-18-26-14-17-29(20-36-28-15-4-21(2)5-16-28)37-31(26)30(19-27)32(33,34)35/h6-9,18-19,21,24-25,28-29H,3-5,10-17,20H2,1-2H3.
What are the key properties of 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene?
6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 514.67 g/mol, XLogP of 9.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylphenyl)cyclohexyl]-2-[(4-methylcyclohexyl)oxymethyl]-8-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).