1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene

C30H46F2O2 — CID 154607415

IUPAC1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
SMILESCCCC1CCC(C2CCC(C3CCC(OCc4ccc(OCC)c(F)c4F)CC3)CC2)CC1
InChIInChI=1S/C30H46F2O2/c1-3-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-17-27(18-15-25)34-20-26-16-19-28(33-4-2)30(32)29(26)31/h16,19,21-25,27H,3-15,17-18,20H2,1-2H3
InChIKeyPWBWOCPENXQXHM-UHFFFAOYSA-N
MW476.69 g/mol
LogP8.85
Rot. Bonds9

About 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene

1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene (PubChem CID 154607415) has the molecular formula C30H46F2O2 and a molecular weight of 476.69 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
PubChem CID154607415
Molecular FormulaC30H46F2O2
Molecular Weight476.69 g/mol
Exact Mass476.35
IUPAC Name1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
SMILESCCCC1CCC(C2CCC(C3CCC(OCc4ccc(OCC)c(F)c4F)CC3)CC2)CC1
InChIInChI=1S/C30H46F2O2/c1-3-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-17-27(18-15-25)34-20-26-16-19-28(33-4-2)30(32)29(26)31/h16,19,21-25,27H,3-15,17-18,20H2,1-2H3
InChIKeyPWBWOCPENXQXHM-UHFFFAOYSA-N
XLogP8.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(butoxymethyl)-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene
CID 70364300
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[4-[(4-propylcyclohexyl)methoxy]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967376
1-[[4-(4-decylcyclohexyl)cyclohexyl]oxymethyl]-2,3,4-trifluorobenzene
CID 19030255
1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 67896108
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2-[(4-ethyl-2,3-difluorophenoxy)methyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967207
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane
CID 58535630
1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
CID 58953172
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene (CID 154607415) is 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene is CCCC1CCC(C2CCC(C3CCC(OCc4ccc(OCC)c(F)c4F)CC3)CC2)CC1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene?
The InChIKey is PWBWOCPENXQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46F2O2/c1-3-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)25-14-17-27(18-15-25)34-20-26-16-19-28(33-4-2)30(32)29(26)31/h16,19,21-25,27H,3-15,17-18,20H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene?
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene has a molecular weight of 476.69 g/mol, XLogP of 8.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene is sourced from PubChem (CID 154607415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).