1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene

C130H160O5 — CID 173394271

IUPAC1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene
SMILESCCCCCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.CCCCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.CCCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.CCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.COc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C28H36O.C27H34O.C26H32O.C25H30O.C24H28O/c1-3-4-5-22-29-28-20-18-27(19-21-28)17-16-26-14-12-25(13-15-26)11-10-24-8-6-23(2)7-9-24;1-3-4-21-28-27-19-17-26(18-20-27)16-15-25-13-11-24(12-14-25)10-9-23-7-5-22(2)6-8-23;1-3-20-27-26-18-16-25(17-19-26)15-14-24-12-10-23(11-13-24)9-8-22-6-4-21(2)5-7-22;1-3-26-25-18-16-24(17-19-25)15-14-23-12-10-22(11-13-23)9-8-21-6-4-20(2)5-7-21;1-19-3-5-20(6-4-19)7-8-21-9-11-22(12-10-21)13-14-23-15-17-24(25-2)18-16-23/h12-15,18-21,23-24H,3-11,22H2,1-2H3;11-14,17-20,22-23H,3-10,21H2,1-2H3;10-13,16-19,21-22H,3-9,20H2,1-2H3;10-13,16-21H,3-9H2,1-2H3;9-12,15-20H,3-8H2,1-2H3
InChIKeyYONDUUCBQZHHPC-UHFFFAOYSA-N
MW1802.70 g/mol
LogP33.17
Rot. Bonds30

About 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene

1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene (PubChem CID 173394271) has the molecular formula C130H160O5 and a molecular weight of 1802.70 g/mol. Its IUPAC name is 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene.

Molecular Properties

Compound Name1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene
PubChem CID173394271
Molecular FormulaC130H160O5
Molecular Weight1802.70 g/mol
Exact Mass1801.23
IUPAC Name1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene
SMILESCCCCCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.CCCCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.CCCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.CCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.COc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C28H36O.C27H34O.C26H32O.C25H30O.C24H28O/c1-3-4-5-22-29-28-20-18-27(19-21-28)17-16-26-14-12-25(13-15-26)11-10-24-8-6-23(2)7-9-24;1-3-4-21-28-27-19-17-26(18-20-27)16-15-25-13-11-24(12-14-25)10-9-23-7-5-22(2)6-8-23;1-3-20-27-26-18-16-25(17-19-26)15-14-24-12-10-23(11-13-24)9-8-22-6-4-21(2)5-7-22;1-3-26-25-18-16-24(17-19-25)15-14-23-12-10-22(11-13-23)9-8-21-6-4-20(2)5-7-21;1-19-3-5-20(6-4-19)7-8-21-9-11-22(12-10-21)13-14-23-15-17-24(25-2)18-16-23/h12-15,18-21,23-24H,3-11,22H2,1-2H3;11-14,17-20,22-23H,3-10,21H2,1-2H3;10-13,16-19,21-22H,3-9,20H2,1-2H3;10-13,16-21H,3-9H2,1-2H3;9-12,15-20H,3-8H2,1-2H3
InChIKeyYONDUUCBQZHHPC-UHFFFAOYSA-N
XLogP33.17
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001802.70
LogP ≤ 533.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene with MolForge

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Related Compounds

1-butoxy-4-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 67865149
1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 19739078
1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-butyl-4-[2-[4-[(4-pentylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933654
1-[2-(4-methylcyclohexyl)ethyl]-4-[2-[4-[(E)-oct-3-enyl]phenyl]ethynyl]benzene
CID 139787879
1-pentyl-4-[2-[4-[(4-propylcyclohexyl)methoxy]phenyl]ethynyl]benzene
CID 67933635
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
1-butyl-4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]benzene;1,2-difluoro-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene;1-(4-ethylcyclohexyl)-4-[2-(4-methoxyphenyl)ethynyl]benzene;1-(4-ethylcyclohexyl)-4-[2-(4-propoxyphenyl)ethynyl]benzene;1-(4-ethylcyclohexyl)-4-[2-(4-propylphenyl)ethynyl]benzene;1-ethyl-4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]benzene;1-fluoro-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethynyl]benzene;1-fluoro-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-fluoro-4-[2-[4-(4-octylcyclohexyl)phenyl]ethynyl]benzene;methane;1-methyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene;1-pentyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]benzene
CID 159244025
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene?
The IUPAC name of 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene (CID 173394271) is 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene.
What is the SMILES notation for 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene?
The canonical SMILES for 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene is CCCCCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.CCCCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.CCCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.CCOc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.COc1ccc(C#Cc2ccc(CCC3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene?
The InChIKey is YONDUUCBQZHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O.C27H34O.C26H32O.C25H30O.C24H28O/c1-3-4-5-22-29-28-20-18-27(19-21-28)17-16-26-14-12-25(13-15-26)11-10-24-8-6-23(2)7-9-24;1-3-4-21-28-27-19-17-26(18-20-27)16-15-25-13-11-24(12-14-25)10-9-23-7-5-22(2)6-8-23;1-3-20-27-26-18-16-25(17-19-26)15-14-24-12-10-23(11-13-24)9-8-22-6-4-21(2)5-7-22;1-3-26-25-18-16-24(17-19-25)15-14-23-12-10-22(11-13-23)9-8-21-6-4-20(2)5-7-21;1-19-3-5-20(6-4-19)7-8-21-9-11-22(12-10-21)13-14-23-15-17-24(25-2)18-16-23/h12-15,18-21,23-24H,3-11,22H2,1-2H3;11-14,17-20,22-23H,3-10,21H2,1-2H3;10-13,16-19,21-22H,3-9,20H2,1-2H3;10-13,16-21H,3-9H2,1-2H3;9-12,15-20H,3-8H2,1-2H3.
What are the key properties of 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene?
1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene has a molecular weight of 1802.70 g/mol, XLogP of 33.17, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene is sourced from PubChem (CID 173394271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).