2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene

C32H42F2O — CID 59795492

IUPAC2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(c2cc3c(c(F)c2F)OC(c2ccc(C4CCC(CC)CC4)cc2)CC3)CC1
InChIInChI=1S/C32H42F2O/c1-3-5-22-8-12-25(13-9-22)28-20-27-18-19-29(35-32(27)31(34)30(28)33)26-16-14-24(15-17-26)23-10-6-21(4-2)7-11-23/h14-17,20-23,25,29H,3-13,18-19H2,1-2H3
InChIKeyOYJWEJISZQIZKQ-UHFFFAOYSA-N
MW480.68 g/mol
LogP9.79
Rot. Bonds6

About 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene

2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene (PubChem CID 59795492) has the molecular formula C32H42F2O and a molecular weight of 480.68 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
PubChem CID59795492
Molecular FormulaC32H42F2O
Molecular Weight480.68 g/mol
Exact Mass480.32
IUPAC Name2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(c2cc3c(c(F)c2F)OC(c2ccc(C4CCC(CC)CC4)cc2)CC3)CC1
InChIInChI=1S/C32H42F2O/c1-3-5-22-8-12-25(13-9-22)28-20-27-18-19-29(35-32(27)31(34)30(28)33)26-16-14-24(15-17-26)23-10-6-21(4-2)7-11-23/h14-17,20-23,25,29H,3-13,18-19H2,1-2H3
InChIKeyOYJWEJISZQIZKQ-UHFFFAOYSA-N
XLogP9.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.68
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene with MolForge

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Related Compounds

2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795280
7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
CID 69236520
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
2-[2-(4-ethylcyclohexyl)ethyl]-7,8-difluoro-6-(4-prop-1-enylcyclohexyl)-3,4-dihydro-2H-chromene
CID 72563900
6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
CID 59795281
7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene
CID 71065591
7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795335
6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 59795337
1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran
CID 140909314
7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
CID 59795102
1,3,4-trifluoro-2-methyl-5-(4-propylcyclohexyl)benzene
CID 18635056
2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane
CID 89069162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene (CID 59795492) is 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene is CCCC1CCC(c2cc3c(c(F)c2F)OC(c2ccc(C4CCC(CC)CC4)cc2)CC3)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
The InChIKey is OYJWEJISZQIZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42F2O/c1-3-5-22-8-12-25(13-9-22)28-20-27-18-19-29(35-32(27)31(34)30(28)33)26-16-14-24(15-17-26)23-10-6-21(4-2)7-11-23/h14-17,20-23,25,29H,3-13,18-19H2,1-2H3.
What are the key properties of 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene has a molecular weight of 480.68 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).