1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine

C115H115Cl3F7NO — CID 157208113

IUPAC1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine
SMILESCC(c1ccc(Cl)cc1)C1CCCCC1.CC(c1ccc(Cl)cc1)c1cccc(OC(C)(F)F)c1.CC(c1ccc(F)cc1)c1ccc(F)cc1.CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1cccnc1.Cc1cc(F)cc(C(C)c2ccc(Cl)cc2)c1.Cc1cc(F)cc(C(C)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15ClF2O.C15H14ClF.C15H14F2.C14H19Cl.C14H12F2.2C14H14.C13H13N/c1-11(12-6-8-14(17)9-7-12)13-4-3-5-15(10-13)20-16(2,18)19;2*1-10-7-13(9-15(17)8-10)11(2)12-3-5-14(16)6-4-12;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;2*1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-11(12-6-3-2-4-7-12)13-8-5-9-14-10-13/h3-11H,1-2H3;2*3-9,11H,1-2H3;7-12H,2-6H2,1H3;2-10H,1H3;2*2-12H,1H3;2-11H,1H3
InChIKeyAROTWVWKQHNGFF-UHFFFAOYSA-N
MW1766.54 g/mol
LogP34.90
Rot. Bonds18

About 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine

1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine (PubChem CID 157208113) has the molecular formula C115H115Cl3F7NO and a molecular weight of 1766.54 g/mol. Its IUPAC name is 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine.

Molecular Properties

Compound Name1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine
PubChem CID157208113
Molecular FormulaC115H115Cl3F7NO
Molecular Weight1766.54 g/mol
Exact Mass1763.79
IUPAC Name1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine
SMILESCC(c1ccc(Cl)cc1)C1CCCCC1.CC(c1ccc(Cl)cc1)c1cccc(OC(C)(F)F)c1.CC(c1ccc(F)cc1)c1ccc(F)cc1.CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1cccnc1.Cc1cc(F)cc(C(C)c2ccc(Cl)cc2)c1.Cc1cc(F)cc(C(C)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15ClF2O.C15H14ClF.C15H14F2.C14H19Cl.C14H12F2.2C14H14.C13H13N/c1-11(12-6-8-14(17)9-7-12)13-4-3-5-15(10-13)20-16(2,18)19;2*1-10-7-13(9-15(17)8-10)11(2)12-3-5-14(16)6-4-12;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;2*1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-11(12-6-3-2-4-7-12)13-8-5-9-14-10-13/h3-11H,1-2H3;2*3-9,11H,1-2H3;7-12H,2-6H2,1H3;2-10H,1H3;2*2-12H,1H3;2-11H,1H3
InChIKeyAROTWVWKQHNGFF-UHFFFAOYSA-N
XLogP34.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001766.54
LogP ≤ 534.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine with MolForge

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Related Compounds

3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
4-[2-(4-Chloro-phenyl)-2-(5-cyclopentyloxy-2-fluoro-4-methoxy-phenyl)-ethyl]-pyridine
CID 44282255
4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-2-fluoro-4-methoxy-phenyl)-ethyl]-pyridine
CID 44282270
4-[2-[3,4-Bis(difluoromethoxy)phenyl]-2-(4-chlorophenyl)ethyl]pyridine
CID 44282295
4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-difluoromethoxy-phenyl)-ethyl]-pyridine
CID 44282738
5-(4-Chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 3454515
4-(4-Chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 3697093
3-[(2,4-Dichlorophenyl)-[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 53897243
5-(3'-Chloro-2-fluoro-6-methoxy-biphenyl-3-ylmethyl)-2-fluoro-pyridine
CID 57703711
5-(3'-Chloro-6-difluoromethoxy-biphenyl-3-ylmethyl)-2-fluoro-pyridine
CID 57703780
2-[4-[4-[4-[(E)-3,3-difluoro-3-(3,4,5-trifluorophenoxy)prop-1-enyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-pentylpyridine
CID 58077379
2-[4-[4-[(E)-3,3-difluoro-3-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]prop-1-enyl]-3,5-difluorophenyl]phenyl]-5-pentylpyridine
CID 58077400

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine?
The IUPAC name of 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine (CID 157208113) is 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine.
What is the SMILES notation for 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine?
The canonical SMILES for 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine is CC(c1ccc(Cl)cc1)C1CCCCC1.CC(c1ccc(Cl)cc1)c1cccc(OC(C)(F)F)c1.CC(c1ccc(F)cc1)c1ccc(F)cc1.CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1ccccc1.CC(c1ccccc1)c1cccnc1.Cc1cc(F)cc(C(C)c2ccc(Cl)cc2)c1.Cc1cc(F)cc(C(C)c2ccc(F)cc2)c1.
What is the InChIKey of 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine?
The InChIKey is AROTWVWKQHNGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O.C15H14ClF.C15H14F2.C14H19Cl.C14H12F2.2C14H14.C13H13N/c1-11(12-6-8-14(17)9-7-12)13-4-3-5-15(10-13)20-16(2,18)19;2*1-10-7-13(9-15(17)8-10)11(2)12-3-5-14(16)6-4-12;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12;2*1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-11(12-6-3-2-4-7-12)13-8-5-9-14-10-13/h3-11H,1-2H3;2*3-9,11H,1-2H3;7-12H,2-6H2,1H3;2-10H,1H3;2*2-12H,1H3;2-11H,1H3.
What are the key properties of 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine?
1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine has a molecular weight of 1766.54 g/mol, XLogP of 34.90, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-cyclohexylethyl)benzene;1-chloro-4-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]benzene;1-[1-(4-chlorophenyl)ethyl]-3-fluoro-5-methylbenzene;1-fluoro-4-[1-(4-fluorophenyl)ethyl]benzene;1-fluoro-3-[1-(4-fluorophenyl)ethyl]-5-methylbenzene;bis(1-phenylethylbenzene);3-(1-phenylethyl)pyridine is sourced from PubChem (CID 157208113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).