4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate

C111H139F4NO8 — CID 159339146

IUPAC4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate
SMILESCCCC1CCC(OC(=O)C2CCC(CCC/C=C\O)CC2)CC1.CCCCCC1CCC(C2CCC(O)CC2)CC1.CCCCc1ccc(-c2ccc(O)cc2)cc1.CCCOc1ccc(-c2ccc(O)cc2)c(F)c1F.CCCc1ccc(-c2ccc(-c3ccc(N)cc3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(O)cc3)c(F)c2)cc1
InChIInChI=1S/C21H20FN.C21H19FO.C21H36O3.C17H32O.C16H18O.C15H14F2O2/c2*1-2-3-15-4-6-16(7-5-15)18-10-13-20(21(22)14-18)17-8-11-19(23)12-9-17;1-2-6-17-10-14-20(15-11-17)24-21(23)19-12-8-18(9-13-19)7-4-3-5-16-22;1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16;1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15;1-2-9-19-13-8-7-12(14(16)15(13)17)10-3-5-11(18)6-4-10/h4-14H,2-3,23H2,1H3;4-14,23H,2-3H2,1H3;5,16-20,22H,2-4,6-15H2,1H3;14-18H,2-13H2,1H3;5-12,17H,2-4H2,1H3;3-8,18H,2,9H2,1H3/b;;16-5-;;;
InChIKeyLFXMVNUHQABLNF-JLTCNUICSA-N
MW1691.32 g/mol
LogP30.90
Rot. Bonds29

About 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate

4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate (PubChem CID 159339146) has the molecular formula C111H139F4NO8 and a molecular weight of 1691.32 g/mol. Its IUPAC name is 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate
PubChem CID159339146
Molecular FormulaC111H139F4NO8
Molecular Weight1691.32 g/mol
Exact Mass1690.04
IUPAC Name4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate
SMILESCCCC1CCC(OC(=O)C2CCC(CCC/C=C\O)CC2)CC1.CCCCCC1CCC(C2CCC(O)CC2)CC1.CCCCc1ccc(-c2ccc(O)cc2)cc1.CCCOc1ccc(-c2ccc(O)cc2)c(F)c1F.CCCc1ccc(-c2ccc(-c3ccc(N)cc3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(O)cc3)c(F)c2)cc1
InChIInChI=1S/C21H20FN.C21H19FO.C21H36O3.C17H32O.C16H18O.C15H14F2O2/c2*1-2-3-15-4-6-16(7-5-15)18-10-13-20(21(22)14-18)17-8-11-19(23)12-9-17;1-2-6-17-10-14-20(15-11-17)24-21(23)19-12-8-18(9-13-19)7-4-3-5-16-22;1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16;1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15;1-2-9-19-13-8-7-12(14(16)15(13)17)10-3-5-11(18)6-4-10/h4-14H,2-3,23H2,1H3;4-14,23H,2-3H2,1H3;5,16-20,22H,2-4,6-15H2,1H3;14-18H,2-13H2,1H3;5-12,17H,2-4H2,1H3;3-8,18H,2,9H2,1H3/b;;16-5-;;;
InChIKeyLFXMVNUHQABLNF-JLTCNUICSA-N
XLogP30.90
TPSA162.70 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001691.32
LogP ≤ 530.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;2-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]ethanamine;[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methanamine;1-(4-methylcyclohexyl)-4-pentylbenzene;4-(4-pentylcyclohexyl)cyclohexan-1-ol;[4-(4-propylcyclohexyl)cyclohexyl]methanol;(4-propylcyclohexyl) 4-(5-hydroxypentyl)cyclohexane-1-carboxylate
CID 160567135
[4-(4-butoxy-3-fluorophenyl)-2,3-difluorophenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 88997781
1-butoxy-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]benzene
CID 67737929
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-nonoxybenzene
CID 67737967
[4-(2,3-difluoro-4-octoxyphenyl)phenyl] 4-hexylcyclohexane-1-carboxylate
CID 19767216
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-heptoxybenzene
CID 67737369
(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate
CID 140772115
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-propoxybenzene
CID 67737810
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexyl)phenyl]phenyl]-4-propoxybenzene
CID 67730033
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67737935
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-pent-4-enoxybenzene
CID 67739819
2,3-difluoro-1-octoxy-4-[4-[(4-pentylcyclohexyl)oxymethyl]phenyl]benzene
CID 20665383

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate?
The IUPAC name of 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate (CID 159339146) is 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate.
What is the SMILES notation for 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate?
The canonical SMILES for 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate is CCCC1CCC(OC(=O)C2CCC(CCC/C=C\O)CC2)CC1.CCCCCC1CCC(C2CCC(O)CC2)CC1.CCCCc1ccc(-c2ccc(O)cc2)cc1.CCCOc1ccc(-c2ccc(O)cc2)c(F)c1F.CCCc1ccc(-c2ccc(-c3ccc(N)cc3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3ccc(O)cc3)c(F)c2)cc1.
What is the InChIKey of 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate?
The InChIKey is LFXMVNUHQABLNF-JLTCNUICSA-N. The full InChI is InChI=1S/C21H20FN.C21H19FO.C21H36O3.C17H32O.C16H18O.C15H14F2O2/c2*1-2-3-15-4-6-16(7-5-15)18-10-13-20(21(22)14-18)17-8-11-19(23)12-9-17;1-2-6-17-10-14-20(15-11-17)24-21(23)19-12-8-18(9-13-19)7-4-3-5-16-22;1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16;1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15;1-2-9-19-13-8-7-12(14(16)15(13)17)10-3-5-11(18)6-4-10/h4-14H,2-3,23H2,1H3;4-14,23H,2-3H2,1H3;5,16-20,22H,2-4,6-15H2,1H3;14-18H,2-13H2,1H3;5-12,17H,2-4H2,1H3;3-8,18H,2,9H2,1H3/b;;16-5-;;;.
What are the key properties of 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate?
4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate has a molecular weight of 1691.32 g/mol, XLogP of 30.90, 29 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)phenol;4-(2,3-difluoro-4-propoxyphenyl)phenol;4-[2-fluoro-4-(4-propylphenyl)phenyl]aniline;4-[2-fluoro-4-(4-propylphenyl)phenyl]phenol;4-(4-pentylcyclohexyl)cyclohexan-1-ol;(4-propylcyclohexyl) 4-[(Z)-5-hydroxypent-4-enyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 159339146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).