6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran

C30H38F2O2 — CID 118583672

IUPAC6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(C2CC=C(c3ccc(CCc4ccc(OCC)c(F)c4F)cc3)OC2)CC1
InChIInChI=1S/C30H38F2O2/c1-3-5-21-6-11-23(12-7-21)26-17-18-27(34-20-26)24-13-8-22(9-14-24)10-15-25-16-19-28(33-4-2)30(32)29(25)31/h8-9,13-14,16,18-19,21,23,26H,3-7,10-12,15,17,20H2,1-2H3
InChIKeyYFLWFSMXBUIRSN-UHFFFAOYSA-N
MW468.63 g/mol
LogP8.13
Rot. Bonds9

About 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran

6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran (PubChem CID 118583672) has the molecular formula C30H38F2O2 and a molecular weight of 468.63 g/mol. Its IUPAC name is 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
PubChem CID118583672
Molecular FormulaC30H38F2O2
Molecular Weight468.63 g/mol
Exact Mass468.28
IUPAC Name6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran
SMILESCCCC1CCC(C2CC=C(c3ccc(CCc4ccc(OCC)c(F)c4F)cc3)OC2)CC1
InChIInChI=1S/C30H38F2O2/c1-3-5-21-6-11-23(12-7-21)26-17-18-27(34-20-26)24-13-8-22(9-14-24)10-15-25-16-19-28(33-4-2)30(32)29(25)31/h8-9,13-14,16,18-19,21,23,26H,3-7,10-12,15,17,20H2,1-2H3
InChIKeyYFLWFSMXBUIRSN-UHFFFAOYSA-N
XLogP8.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.63
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran with MolForge

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Related Compounds

1-ethoxy-2,3-difluoro-4-[2-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethyl]benzene
CID 154607279
1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075
1-ethoxy-2,3-difluoro-4-[4-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]phenyl]benzene
CID 58555455
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
CID 154607415
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 67896108
5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane
CID 58535630
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene;1-[2-(4-butylcyclohexyl)ethyl]-4-ethyl-2,3-difluorobenzene;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]benzene;1-ethyl-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-methyl-4-(4-pentylphenyl)benzene
CID 160967448
1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
CID 58953172
2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861552
3-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583572
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene
CID 67896160
1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
CID 70364300

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran (CID 118583672) is 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran is CCCC1CCC(C2CC=C(c3ccc(CCc4ccc(OCC)c(F)c4F)cc3)OC2)CC1.
What is the InChIKey of 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran?
The InChIKey is YFLWFSMXBUIRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2O2/c1-3-5-21-6-11-23(12-7-21)26-17-18-27(34-20-26)24-13-8-22(9-14-24)10-15-25-16-19-28(33-4-2)30(32)29(25)31/h8-9,13-14,16,18-19,21,23,26H,3-7,10-12,15,17,20H2,1-2H3.
What are the key properties of 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran?
6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran has a molecular weight of 468.63 g/mol, XLogP of 8.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]phenyl]-3-(4-propylcyclohexyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118583672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).