4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol

C196H302F14O17S — CID 158307562

IUPAC4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol
SMILESC/C=C/COC1CCC(C2CCC(C(F)(F)Oc3cc(C)c(O)c(C(C)C)c3)CC2)CC1.C=CC1CCC(C2CCC(C(F)(F)Oc3cc(C)c(O)c(CC)c3)CC2)CC1.C=CCCC1CCC(C2CCC(C(F)(F)Oc3cc(CC)c(O)c(C(C)(C)C)c3)CC2)CC1.CCCCCC1CCC(C2CCC(C(F)(F)Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)CO1.CCCCCCCC1CCC(C2CCC(C(F)(F)Oc3cc(C(C)C)c(O)c(C(C)(C)C)c3)CC2)CC1.CCOC1CCC(C2CCC(C(F)(F)Oc3cc(C)c(O)c(C(C)(C)C)c3)CC2)CC1.CCSC1CCC(C2CCC(C(F)(F)Oc3cc(CC)c(O)c(C(C)C)c3)CC2)CC1
InChIInChI=1S/C33H54F2O2.C31H50F2O3.C29H44F2O2.C27H40F2O3.C26H40F2O3.C26H40F2O2S.C24H34F2O2/c1-7-8-9-10-11-12-24-13-15-25(16-14-24)26-17-19-27(20-18-26)33(34,35)37-28-21-29(23(2)3)31(36)30(22-28)32(4,5)6;1-8-9-10-11-24-17-14-22(20-35-24)21-12-15-23(16-13-21)31(32,33)36-25-18-26(29(2,3)4)28(34)27(19-25)30(5,6)7;1-6-8-9-20-10-12-22(13-11-20)23-14-16-24(17-15-23)29(30,31)33-25-18-21(7-2)27(32)26(19-25)28(3,4)5;1-5-6-15-31-23-13-9-21(10-14-23)20-7-11-22(12-8-20)27(28,29)32-24-16-19(4)26(30)25(17-24)18(2)3;1-6-30-21-13-9-19(10-14-21)18-7-11-20(12-8-18)26(27,28)31-22-15-17(2)24(29)23(16-22)25(3,4)5;1-5-18-15-22(16-24(17(3)4)25(18)29)30-26(27,28)21-11-7-19(8-12-21)20-9-13-23(14-10-20)31-6-2;1-4-17-6-8-19(9-7-17)20-10-12-21(13-11-20)24(25,26)28-22-14-16(3)23(27)18(5-2)15-22/h21-27,36H,7-20H2,1-6H3;18-19,21-24,34H,8-17,20H2,1-7H3;6,18-20,22-24,32H,1,7-17H2,2-5H3;5-6,16-18,20-23,30H,7-15H2,1-4H3;15-16,18-21,29H,6-14H2,1-5H3;15-17,19-21,23,29H,5-14H2,1-4H3;4,14-15,17,19-21,27H,1,5-13H2,2-3H3/b;;;6-5+;;;
InChIKeyGNGQUNQJTOTIJV-FILYVNCMSA-N
MW3228.59 g/mol
LogP59.03
Rot. Bonds55

About 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol

4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol (PubChem CID 158307562) has the molecular formula C196H302F14O17S and a molecular weight of 3228.59 g/mol. Its IUPAC name is 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol
PubChem CID158307562
Molecular FormulaC196H302F14O17S
Molecular Weight3228.59 g/mol
Exact Mass3226.23
IUPAC Name4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol
SMILESC/C=C/COC1CCC(C2CCC(C(F)(F)Oc3cc(C)c(O)c(C(C)C)c3)CC2)CC1.C=CC1CCC(C2CCC(C(F)(F)Oc3cc(C)c(O)c(CC)c3)CC2)CC1.C=CCCC1CCC(C2CCC(C(F)(F)Oc3cc(CC)c(O)c(C(C)(C)C)c3)CC2)CC1.CCCCCC1CCC(C2CCC(C(F)(F)Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)CO1.CCCCCCCC1CCC(C2CCC(C(F)(F)Oc3cc(C(C)C)c(O)c(C(C)(C)C)c3)CC2)CC1.CCOC1CCC(C2CCC(C(F)(F)Oc3cc(C)c(O)c(C(C)(C)C)c3)CC2)CC1.CCSC1CCC(C2CCC(C(F)(F)Oc3cc(CC)c(O)c(C(C)C)c3)CC2)CC1
InChIInChI=1S/C33H54F2O2.C31H50F2O3.C29H44F2O2.C27H40F2O3.C26H40F2O3.C26H40F2O2S.C24H34F2O2/c1-7-8-9-10-11-12-24-13-15-25(16-14-24)26-17-19-27(20-18-26)33(34,35)37-28-21-29(23(2)3)31(36)30(22-28)32(4,5)6;1-8-9-10-11-24-17-14-22(20-35-24)21-12-15-23(16-13-21)31(32,33)36-25-18-26(29(2,3)4)28(34)27(19-25)30(5,6)7;1-6-8-9-20-10-12-22(13-11-20)23-14-16-24(17-15-23)29(30,31)33-25-18-21(7-2)27(32)26(19-25)28(3,4)5;1-5-6-15-31-23-13-9-21(10-14-23)20-7-11-22(12-8-20)27(28,29)32-24-16-19(4)26(30)25(17-24)18(2)3;1-6-30-21-13-9-19(10-14-21)18-7-11-20(12-8-18)26(27,28)31-22-15-17(2)24(29)23(16-22)25(3,4)5;1-5-18-15-22(16-24(17(3)4)25(18)29)30-26(27,28)21-11-7-19(8-12-21)20-9-13-23(14-10-20)31-6-2;1-4-17-6-8-19(9-7-17)20-10-12-21(13-11-20)24(25,26)28-22-14-16(3)23(27)18(5-2)15-22/h21-27,36H,7-20H2,1-6H3;18-19,21-24,34H,8-17,20H2,1-7H3;6,18-20,22-24,32H,1,7-17H2,2-5H3;5-6,16-18,20-23,30H,7-15H2,1-4H3;15-16,18-21,29H,6-14H2,1-5H3;15-17,19-21,23,29H,5-14H2,1-4H3;4,14-15,17,19-21,27H,1,5-13H2,2-3H3/b;;;6-5+;;;
InChIKeyGNGQUNQJTOTIJV-FILYVNCMSA-N
XLogP59.03
TPSA233.91 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds55
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003228.59
LogP ≤ 559.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol with MolForge

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Launch Full Analysis

Related Compounds

6-(4-Methoxy-phenyl)-5-{4-[4-(4,4,5,5,5-pentafluoro-pentylsulfanyl)-butoxy]-phenoxy}-naphthalen-2-ol
CID 11157748
6-(4-Hydroxyphenyl)-5-[4-[4-(4,4,5,5,5-pentafluoropentylsulfanyl)butoxy]phenoxy]naphthalen-2-ol
CID 11387760
6-Benzyloxy-2-(4-methoxy-phenyl)-1-{4-[4-(4,4,5,5,5-pentafluoro-pentylsulfanyl)-butoxy]phenoxy}-naphtalene
CID 58830669
2-Tert-butyl-4-[(4-butylsulfanylcyclohexyl)-difluoromethoxy]-6-methylphenol
CID 121323697
2-Ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol
CID 121323732
2,6-Ditert-butyl-4-[difluoro-[4-(6-pentylthian-3-yl)cyclohexyl]methoxy]phenol
CID 121323734
2,6-Ditert-butyl-4-[difluoro-[4-(5-pentylthian-2-yl)cyclohexyl]methoxy]phenol
CID 121323737
2,6-Ditert-butyl-4-[difluoro-[4-(5-pentylthian-2-yl)phenyl]methoxy]phenol
CID 121323752
2,6-Ditert-butyl-4-[difluoro-[4-(5-pentyl-1,3-dithian-2-yl)phenyl]methoxy]phenol
CID 121323760
2,6-Ditert-butyl-4-[difluoro-[4-(6-pentylthian-3-yl)phenyl]methoxy]phenol
CID 121323762
2-(4-Ethoxyphenyl)-3-[4-[3-[[3-[4-[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-hydroxypropyl]phenoxy]phenyl]methylsulfanylmethyl]phenoxy]phenyl]-1,1,1-trifluoropropan-2-ol
CID 140358578
[4-[4-[[4-[3-[3-[3,5-Bis(trifluoromethyl)phenyl]-4-[4-[(4-propan-2-ylphenyl)methyl]phenoxy]phenoxy]-2,3-dimethylbutan-2-yl]phenyl]methyl]phenoxy]-3-(3-methylphenyl)phenyl]oxidanium
CID 143612081

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol?
The IUPAC name of 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol (CID 158307562) is 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol.
What is the SMILES notation for 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol?
The canonical SMILES for 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol is C/C=C/COC1CCC(C2CCC(C(F)(F)Oc3cc(C)c(O)c(C(C)C)c3)CC2)CC1.C=CC1CCC(C2CCC(C(F)(F)Oc3cc(C)c(O)c(CC)c3)CC2)CC1.C=CCCC1CCC(C2CCC(C(F)(F)Oc3cc(CC)c(O)c(C(C)(C)C)c3)CC2)CC1.CCCCCC1CCC(C2CCC(C(F)(F)Oc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)CO1.CCCCCCCC1CCC(C2CCC(C(F)(F)Oc3cc(C(C)C)c(O)c(C(C)(C)C)c3)CC2)CC1.CCOC1CCC(C2CCC(C(F)(F)Oc3cc(C)c(O)c(C(C)(C)C)c3)CC2)CC1.CCSC1CCC(C2CCC(C(F)(F)Oc3cc(CC)c(O)c(C(C)C)c3)CC2)CC1.
What is the InChIKey of 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol?
The InChIKey is GNGQUNQJTOTIJV-FILYVNCMSA-N. The full InChI is InChI=1S/C33H54F2O2.C31H50F2O3.C29H44F2O2.C27H40F2O3.C26H40F2O3.C26H40F2O2S.C24H34F2O2/c1-7-8-9-10-11-12-24-13-15-25(16-14-24)26-17-19-27(20-18-26)33(34,35)37-28-21-29(23(2)3)31(36)30(22-28)32(4,5)6;1-8-9-10-11-24-17-14-22(20-35-24)21-12-15-23(16-13-21)31(32,33)36-25-18-26(29(2,3)4)28(34)27(19-25)30(5,6)7;1-6-8-9-20-10-12-22(13-11-20)23-14-16-24(17-15-23)29(30,31)33-25-18-21(7-2)27(32)26(19-25)28(3,4)5;1-5-6-15-31-23-13-9-21(10-14-23)20-7-11-22(12-8-20)27(28,29)32-24-16-19(4)26(30)25(17-24)18(2)3;1-6-30-21-13-9-19(10-14-21)18-7-11-20(12-8-18)26(27,28)31-22-15-17(2)24(29)23(16-22)25(3,4)5;1-5-18-15-22(16-24(17(3)4)25(18)29)30-26(27,28)21-11-7-19(8-12-21)20-9-13-23(14-10-20)31-6-2;1-4-17-6-8-19(9-7-17)20-10-12-21(13-11-20)24(25,26)28-22-14-16(3)23(27)18(5-2)15-22/h21-27,36H,7-20H2,1-6H3;18-19,21-24,34H,8-17,20H2,1-7H3;6,18-20,22-24,32H,1,7-17H2,2-5H3;5-6,16-18,20-23,30H,7-15H2,1-4H3;15-16,18-21,29H,6-14H2,1-5H3;15-17,19-21,23,29H,5-14H2,1-4H3;4,14-15,17,19-21,27H,1,5-13H2,2-3H3/b;;;6-5+;;;.
What are the key properties of 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol?
4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol has a molecular weight of 3228.59 g/mol, XLogP of 59.03, 55 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[(E)-but-2-enoxy]cyclohexyl]cyclohexyl]-difluoromethoxy]-2-methyl-6-propan-2-ylphenol;4-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-tert-butyl-6-ethylphenol;2-tert-butyl-4-[difluoro-[4-(4-heptylcyclohexyl)cyclohexyl]methoxy]-6-propan-2-ylphenol;2-tert-butyl-4-[[4-(4-ethoxycyclohexyl)cyclohexyl]-difluoromethoxy]-6-methylphenol;2,6-ditert-butyl-4-[difluoro-[4-(6-pentyloxan-3-yl)cyclohexyl]methoxy]phenol;4-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-2-ethyl-6-methylphenol;2-ethyl-4-[[4-(4-ethylsulfanylcyclohexyl)cyclohexyl]-difluoromethoxy]-6-propan-2-ylphenol is sourced from PubChem (CID 158307562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).