1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene

C172H205Cl5O16S — CID 159815398

IUPAC1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene
SMILESCCCC(O)c1cccc(OCc2c(Cl)cccc2Cl)c1.CCCCc1cccc(OCc2c(C)cccc2C)c1.CCCCc1cccc(OCc2ccc(C)cc2)c1.CCCCc1cccc(OCc2ccc(C)cc2)c1.CCCCc1cccc(OCc2ccc(Cl)cc2)c1.CCCOc1cccc(OCc2c(C)cccc2C)c1.CCCOc1cccc(OCc2c(Cl)cccc2Cl)c1.CCCOc1cccc(OCc2ccccc2)c1.CCCOc1cccc(OCc2ccccc2OC)c1.CCCSc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H24O.C18H22O2.2C18H22O.C17H18Cl2O2.C17H19ClO.C17H20O3.C16H16Cl2O2.C16H18O2.C16H24OS/c1-4-5-10-17-11-7-12-18(13-17)20-14-19-15(2)8-6-9-16(19)3;1-4-11-19-16-9-6-10-17(12-16)20-13-18-14(2)7-5-8-15(18)3;2*1-3-4-6-16-7-5-8-18(13-16)19-14-17-11-9-15(2)10-12-17;1-2-5-17(20)12-6-3-7-13(10-12)21-11-14-15(18)8-4-9-16(14)19;1-2-3-5-14-6-4-7-17(12-14)19-13-15-8-10-16(18)11-9-15;1-3-11-19-15-8-6-9-16(12-15)20-13-14-7-4-5-10-17(14)18-2;1-2-9-19-12-5-3-6-13(10-12)20-11-14-15(17)7-4-8-16(14)18;1-2-11-17-15-9-6-10-16(12-15)18-13-14-7-4-3-5-8-14;1-2-11-18-16-10-6-9-15(12-16)17-13-14-7-4-3-5-8-14/h6-9,11-13H,4-5,10,14H2,1-3H3;5-10,12H,4,11,13H2,1-3H3;2*5,7-13H,3-4,6,14H2,1-2H3;3-4,6-10,17,20H,2,5,11H2,1H3;4,6-12H,2-3,5,13H2,1H3;4-10,12H,3,11,13H2,1-2H3;3-8,10H,2,9,11H2,1H3;3-10,12H,2,11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3
InChIKeyNLNZIDFDDJNBPU-UHFFFAOYSA-N
MW2737.85 g/mol
LogP49.02
Rot. Bonds61

About 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene

1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene (PubChem CID 159815398) has the molecular formula C172H205Cl5O16S and a molecular weight of 2737.85 g/mol. Its IUPAC name is 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene.

Molecular Properties

Compound Name1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene
PubChem CID159815398
Molecular FormulaC172H205Cl5O16S
Molecular Weight2737.85 g/mol
Exact Mass2733.34
IUPAC Name1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene
SMILESCCCC(O)c1cccc(OCc2c(Cl)cccc2Cl)c1.CCCCc1cccc(OCc2c(C)cccc2C)c1.CCCCc1cccc(OCc2ccc(C)cc2)c1.CCCCc1cccc(OCc2ccc(C)cc2)c1.CCCCc1cccc(OCc2ccc(Cl)cc2)c1.CCCOc1cccc(OCc2c(C)cccc2C)c1.CCCOc1cccc(OCc2c(Cl)cccc2Cl)c1.CCCOc1cccc(OCc2ccccc2)c1.CCCOc1cccc(OCc2ccccc2OC)c1.CCCSc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C19H24O.C18H22O2.2C18H22O.C17H18Cl2O2.C17H19ClO.C17H20O3.C16H16Cl2O2.C16H18O2.C16H24OS/c1-4-5-10-17-11-7-12-18(13-17)20-14-19-15(2)8-6-9-16(19)3;1-4-11-19-16-9-6-10-17(12-16)20-13-18-14(2)7-5-8-15(18)3;2*1-3-4-6-16-7-5-8-18(13-16)19-14-17-11-9-15(2)10-12-17;1-2-5-17(20)12-6-3-7-13(10-12)21-11-14-15(18)8-4-9-16(14)19;1-2-3-5-14-6-4-7-17(12-14)19-13-15-8-10-16(18)11-9-15;1-3-11-19-15-8-6-9-16(12-15)20-13-14-7-4-5-10-17(14)18-2;1-2-9-19-12-5-3-6-13(10-12)20-11-14-15(17)7-4-8-16(14)18;1-2-11-17-15-9-6-10-16(12-15)18-13-14-7-4-3-5-8-14;1-2-11-18-16-10-6-9-15(12-16)17-13-14-7-4-3-5-8-14/h6-9,11-13H,4-5,10,14H2,1-3H3;5-10,12H,4,11,13H2,1-3H3;2*5,7-13H,3-4,6,14H2,1-2H3;3-4,6-10,17,20H,2,5,11H2,1H3;4,6-12H,2-3,5,13H2,1H3;4-10,12H,3,11,13H2,1-2H3;3-8,10H,2,9,11H2,1H3;3-10,12H,2,11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3
InChIKeyNLNZIDFDDJNBPU-UHFFFAOYSA-N
XLogP49.02
TPSA158.68 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds61
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002737.85
LogP ≤ 549.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene?
The IUPAC name of 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene (CID 159815398) is 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene.
What is the SMILES notation for 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene?
The canonical SMILES for 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene is CCCC(O)c1cccc(OCc2c(Cl)cccc2Cl)c1.CCCCc1cccc(OCc2c(C)cccc2C)c1.CCCCc1cccc(OCc2ccc(C)cc2)c1.CCCCc1cccc(OCc2ccc(C)cc2)c1.CCCCc1cccc(OCc2ccc(Cl)cc2)c1.CCCOc1cccc(OCc2c(C)cccc2C)c1.CCCOc1cccc(OCc2c(Cl)cccc2Cl)c1.CCCOc1cccc(OCc2ccccc2)c1.CCCOc1cccc(OCc2ccccc2OC)c1.CCCSc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene?
The InChIKey is NLNZIDFDDJNBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O.C18H22O2.2C18H22O.C17H18Cl2O2.C17H19ClO.C17H20O3.C16H16Cl2O2.C16H18O2.C16H24OS/c1-4-5-10-17-11-7-12-18(13-17)20-14-19-15(2)8-6-9-16(19)3;1-4-11-19-16-9-6-10-17(12-16)20-13-18-14(2)7-5-8-15(18)3;2*1-3-4-6-16-7-5-8-18(13-16)19-14-17-11-9-15(2)10-12-17;1-2-5-17(20)12-6-3-7-13(10-12)21-11-14-15(18)8-4-9-16(14)19;1-2-3-5-14-6-4-7-17(12-14)19-13-15-8-10-16(18)11-9-15;1-3-11-19-15-8-6-9-16(12-15)20-13-14-7-4-5-10-17(14)18-2;1-2-9-19-12-5-3-6-13(10-12)20-11-14-15(17)7-4-8-16(14)18;1-2-11-17-15-9-6-10-16(12-15)18-13-14-7-4-3-5-8-14;1-2-11-18-16-10-6-9-15(12-16)17-13-14-7-4-3-5-8-14/h6-9,11-13H,4-5,10,14H2,1-3H3;5-10,12H,4,11,13H2,1-3H3;2*5,7-13H,3-4,6,14H2,1-2H3;3-4,6-10,17,20H,2,5,11H2,1H3;4,6-12H,2-3,5,13H2,1H3;4-10,12H,3,11,13H2,1-2H3;3-8,10H,2,9,11H2,1H3;3-10,12H,2,11,13H2,1H3;6,9-10,12,14H,2-5,7-8,11,13H2,1H3.
What are the key properties of 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene?
1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene has a molecular weight of 2737.85 g/mol, XLogP of 49.02, 61 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;bis(1-butyl-3-[(4-methylphenyl)methoxy]benzene);2-[(3-butylphenoxy)methyl]-1,3-dimethylbenzene;1-(cyclohexylmethoxy)-3-propylsulfanylbenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1,3-dichloro-2-[(3-propoxyphenoxy)methyl]benzene;1,3-dimethyl-2-[(3-propoxyphenoxy)methyl]benzene;1-methoxy-2-[(3-propoxyphenoxy)methyl]benzene;1-phenylmethoxy-3-propoxybenzene is sourced from PubChem (CID 159815398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).