[6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol

C194H231Br2F3O22 — CID 158026758

IUPAC[6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol
SMILESCC(=O)OCCCCCC(OC(C)=O)c1ccc(-c2ccccc2)cc1.CC(O)(CCCCCO)c1ccc(-c2ccccc2)cc1.CCCCCOC(CCCCCO)c1ccc(-c2ccccc2)cc1.OCCCCCC(O)c1ccc(-c2ccc(Br)cc2)cc1.OCCCCCC(O)c1ccc(-c2ccc(Br)cc2F)cc1.OCCCCCC(O)c1ccc(-c2ccc(F)cc2)cc1.OCCCCCC(O)c1ccc(-c2ccccc2)cc1.OCCCCCC(O)c1ccc(-c2ccccc2F)cc1.OCCCCCC(O)c1ccc2c(ccc3ccccc32)c1.OCCCCCC(O)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C23H32O2.C22H26O4.2C20H22O2.C19H24O2.C18H20BrFO2.C18H21BrO2.2C18H21FO2.C18H22O2/c1-2-3-10-19-25-23(13-8-5-9-18-24)22-16-14-21(15-17-22)20-11-6-4-7-12-20;1-17(23)25-16-8-4-7-11-22(26-18(2)24)21-14-12-20(13-15-21)19-9-5-3-6-10-19;2*21-13-5-1-2-8-20(22)17-11-12-19-16(14-17)10-9-15-6-3-4-7-18(15)19;1-19(21,14-6-3-7-15-20)18-12-10-17(11-13-18)16-8-4-2-5-9-16;19-15-9-10-16(17(20)12-15)13-5-7-14(8-6-13)18(22)4-2-1-3-11-21;19-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(21)4-2-1-3-13-20;19-17-7-4-3-6-16(17)14-9-11-15(12-10-14)18(21)8-2-1-5-13-20;19-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(21)4-2-1-3-13-20;19-14-6-2-5-9-18(20)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h4,6-7,11-12,14-17,23-24H,2-3,5,8-10,13,18-19H2,1H3;3,5-6,9-10,12-15,22H,4,7-8,11,16H2,1-2H3;2*3-4,6-7,9-12,14,20-22H,1-2,5,8,13H2;2,4-5,8-13,20-21H,3,6-7,14-15H2,1H3;5-10,12,18,21-22H,1-4,11H2;5-12,18,20-21H,1-4,13H2;3-4,6-7,9-12,18,20-21H,1-2,5,8,13H2;5-12,18,20-21H,1-4,13H2;1,3-4,7-8,10-13,18-20H,2,5-6,9,14H2
InChIKeyFGRRJHNPTGMDDE-UHFFFAOYSA-N
MW3131.76 g/mol
LogP46.15
Rot. Bonds75

About [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol

[6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol (PubChem CID 158026758) has the molecular formula C194H231Br2F3O22 and a molecular weight of 3131.76 g/mol. Its IUPAC name is [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol.

Molecular Properties

Compound Name[6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol
PubChem CID158026758
Molecular FormulaC194H231Br2F3O22
Molecular Weight3131.76 g/mol
Exact Mass3127.53
IUPAC Name[6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol
SMILESCC(=O)OCCCCCC(OC(C)=O)c1ccc(-c2ccccc2)cc1.CC(O)(CCCCCO)c1ccc(-c2ccccc2)cc1.CCCCCOC(CCCCCO)c1ccc(-c2ccccc2)cc1.OCCCCCC(O)c1ccc(-c2ccc(Br)cc2)cc1.OCCCCCC(O)c1ccc(-c2ccc(Br)cc2F)cc1.OCCCCCC(O)c1ccc(-c2ccc(F)cc2)cc1.OCCCCCC(O)c1ccc(-c2ccccc2)cc1.OCCCCCC(O)c1ccc(-c2ccccc2F)cc1.OCCCCCC(O)c1ccc2c(ccc3ccccc32)c1.OCCCCCC(O)c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C23H32O2.C22H26O4.2C20H22O2.C19H24O2.C18H20BrFO2.C18H21BrO2.2C18H21FO2.C18H22O2/c1-2-3-10-19-25-23(13-8-5-9-18-24)22-16-14-21(15-17-22)20-11-6-4-7-12-20;1-17(23)25-16-8-4-7-11-22(26-18(2)24)21-14-12-20(13-15-21)19-9-5-3-6-10-19;2*21-13-5-1-2-8-20(22)17-11-12-19-16(14-17)10-9-15-6-3-4-7-18(15)19;1-19(21,14-6-3-7-15-20)18-12-10-17(11-13-18)16-8-4-2-5-9-16;19-15-9-10-16(17(20)12-15)13-5-7-14(8-6-13)18(22)4-2-1-3-11-21;19-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(21)4-2-1-3-13-20;19-17-7-4-3-6-16(17)14-9-11-15(12-10-14)18(21)8-2-1-5-13-20;19-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(21)4-2-1-3-13-20;19-14-6-2-5-9-18(20)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h4,6-7,11-12,14-17,23-24H,2-3,5,8-10,13,18-19H2,1H3;3,5-6,9-10,12-15,22H,4,7-8,11,16H2,1-2H3;2*3-4,6-7,9-12,14,20-22H,1-2,5,8,13H2;2,4-5,8-13,20-21H,3,6-7,14-15H2,1H3;5-10,12,18,21-22H,1-4,11H2;5-12,18,20-21H,1-4,13H2;3-4,6-7,9-12,18,20-21H,1-2,5,8,13H2;5-12,18,20-21H,1-4,13H2;1,3-4,7-8,10-13,18-20H,2,5-6,9,14H2
InChIKeyFGRRJHNPTGMDDE-UHFFFAOYSA-N
XLogP46.15
TPSA405.74 Ų
H-Bond Donors17
H-Bond Acceptors22
Rotatable Bonds75
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003131.76
LogP ≤ 546.15
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol with MolForge

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Related Compounds

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[6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-(9H-fluoren-2-yl)hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;1-phenanthren-2-ylhexane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol
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CID 161906691

Frequently Asked Questions

What is the IUPAC name of [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol?
The IUPAC name of [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol (CID 158026758) is [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol.
What is the SMILES notation for [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol?
The canonical SMILES for [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol is CC(=O)OCCCCCC(OC(C)=O)c1ccc(-c2ccccc2)cc1.CC(O)(CCCCCO)c1ccc(-c2ccccc2)cc1.CCCCCOC(CCCCCO)c1ccc(-c2ccccc2)cc1.OCCCCCC(O)c1ccc(-c2ccc(Br)cc2)cc1.OCCCCCC(O)c1ccc(-c2ccc(Br)cc2F)cc1.OCCCCCC(O)c1ccc(-c2ccc(F)cc2)cc1.OCCCCCC(O)c1ccc(-c2ccccc2)cc1.OCCCCCC(O)c1ccc(-c2ccccc2F)cc1.OCCCCCC(O)c1ccc2c(ccc3ccccc32)c1.OCCCCCC(O)c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol?
The InChIKey is FGRRJHNPTGMDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2.C22H26O4.2C20H22O2.C19H24O2.C18H20BrFO2.C18H21BrO2.2C18H21FO2.C18H22O2/c1-2-3-10-19-25-23(13-8-5-9-18-24)22-16-14-21(15-17-22)20-11-6-4-7-12-20;1-17(23)25-16-8-4-7-11-22(26-18(2)24)21-14-12-20(13-15-21)19-9-5-3-6-10-19;2*21-13-5-1-2-8-20(22)17-11-12-19-16(14-17)10-9-15-6-3-4-7-18(15)19;1-19(21,14-6-3-7-15-20)18-12-10-17(11-13-18)16-8-4-2-5-9-16;19-15-9-10-16(17(20)12-15)13-5-7-14(8-6-13)18(22)4-2-1-3-11-21;19-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(21)4-2-1-3-13-20;19-17-7-4-3-6-16(17)14-9-11-15(12-10-14)18(21)8-2-1-5-13-20;19-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(21)4-2-1-3-13-20;19-14-6-2-5-9-18(20)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h4,6-7,11-12,14-17,23-24H,2-3,5,8-10,13,18-19H2,1H3;3,5-6,9-10,12-15,22H,4,7-8,11,16H2,1-2H3;2*3-4,6-7,9-12,14,20-22H,1-2,5,8,13H2;2,4-5,8-13,20-21H,3,6-7,14-15H2,1H3;5-10,12,18,21-22H,1-4,11H2;5-12,18,20-21H,1-4,13H2;3-4,6-7,9-12,18,20-21H,1-2,5,8,13H2;5-12,18,20-21H,1-4,13H2;1,3-4,7-8,10-13,18-20H,2,5-6,9,14H2.
What are the key properties of [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol?
[6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol has a molecular weight of 3131.76 g/mol, XLogP of 46.15, 75 rotatable bonds, 17 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [6-acetyloxy-6-(4-phenylphenyl)hexyl] acetate;1-[4-(4-bromo-2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-bromophenyl)phenyl]hexane-1,6-diol;1-[4-(2-fluorophenyl)phenyl]hexane-1,6-diol;1-[4-(4-fluorophenyl)phenyl]hexane-1,6-diol;6-pentoxy-6-(4-phenylphenyl)hexan-1-ol;bis(1-phenanthren-2-ylhexane-1,6-diol);6-(4-phenylphenyl)heptane-1,6-diol;1-(4-phenylphenyl)hexane-1,6-diol is sourced from PubChem (CID 158026758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).