1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol

C153H183Cl5O16 — CID 159451806

About 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol

1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol (PubChem CID 159451806) has the molecular formula C153H183Cl5O16 and a molecular weight of 2455.40 g/mol. Its IUPAC name is 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol.

Molecular Properties

• Compound Name: 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol
• PubChem CID: 159451806
• Molecular Formula: C153H183Cl5O16
• Molecular Weight: 2455.40 g/mol
• Exact Mass: 2451.19
• IUPAC Name: 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol
• SMILES: CCCC(O)c1cccc(OCc2c(Cl)cccc2Cl)c1.CCCC(O)c1cccc(OCc2ccccc2)c1.CCCC(O)c1cccc(OCc2ccccc2OC)c1.CCCCc1cccc(OCc2c(Cl)cccc2Cl)c1.CCCCc1cccc(OCc2ccc(C)cc2)c1.CCCCc1cccc(OCc2ccc(Cl)cc2)c1.CCCCc1cccc(OCc2ccccc2)c1.CCCCc1cccc(OCc2ccccc2OC)c1.CCCOc1cccc(OCC(O)CCC)c1
• InChI: InChI=1S/C18H22O3.C18H22O2.C18H22O.C17H18Cl2O2.C17H18Cl2O.C17H19ClO.C17H20O2.C17H20O.C14H22O3/c1-3-7-17(19)14-9-6-10-16(12-14)21-13-15-8-4-5-11-18(15)20-2;1-3-4-8-15-9-7-11-17(13-15)20-14-16-10-5-6-12-18(16)19-2;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;1-2-3-6-13-7-4-8-14(11-13)20-12-15-16(18)9-5-10-17(15)19;1-2-3-5-14-6-4-7-17(12-14)19-13-15-8-10-16(18)11-9-15;1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14;1-2-3-8-15-11-7-12-17(13-15)18-14-16-9-5-4-6-10-16;1-3-6-12(15)11-17-14-8-5-7-13(10-14)16-9-4-2/h4-6,8-12,17,19H,3,7,13H2,1-2H3;5-7,9-13H,3-4,8,14H2,1-2H3;5,7-13H,3-4,6,14H2,1-2H3;3-4,6-10,17,20H,2,5,11H2,1H3;4-5,7-11H,2-3,6,12H2,1H3;4,6-12H,2-3,5,13H2,1H3;3-6,8-12,17-18H,2,7,13H2,1H3;4-7,9-13H,2-3,8,14H2,1H3;5,7-8,10,12,15H,3-4,6,9,11H2,1-2H3
• InChIKey: LTLYDWVUDFPBLH-UHFFFAOYSA-N
• XLogP: 41.95
• TPSA: 191.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 58
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2455.40
LogP ≤ 5	41.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol?

The IUPAC name of 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol (CID 159451806) is 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol.

What is the SMILES notation for 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol?

The canonical SMILES for 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol is CCCC(O)c1cccc(OCc2c(Cl)cccc2Cl)c1.CCCC(O)c1cccc(OCc2ccccc2)c1.CCCC(O)c1cccc(OCc2ccccc2OC)c1.CCCCc1cccc(OCc2c(Cl)cccc2Cl)c1.CCCCc1cccc(OCc2ccc(C)cc2)c1.CCCCc1cccc(OCc2ccc(Cl)cc2)c1.CCCCc1cccc(OCc2ccccc2)c1.CCCCc1cccc(OCc2ccccc2OC)c1.CCCOc1cccc(OCC(O)CCC)c1.

What is the InChIKey of 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol?

The InChIKey is LTLYDWVUDFPBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3.C18H22O2.C18H22O.C17H18Cl2O2.C17H18Cl2O.C17H19ClO.C17H20O2.C17H20O.C14H22O3/c1-3-7-17(19)14-9-6-10-16(12-14)21-13-15-8-4-5-11-18(15)20-2;1-3-4-8-15-9-7-11-17(13-15)20-14-16-10-5-6-12-18(16)19-2;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;1-2-3-6-13-7-4-8-14(11-13)20-12-15-16(18)9-5-10-17(15)19;1-2-3-5-14-6-4-7-17(12-14)19-13-15-8-10-16(18)11-9-15;1-2-7-17(18)15-10-6-11-16(12-15)19-13-14-8-4-3-5-9-14;1-2-3-8-15-11-7-12-17(13-15)18-14-16-9-5-4-6-10-16;1-3-6-12(15)11-17-14-8-5-7-13(10-14)16-9-4-2/h4-6,8-12,17,19H,3,7,13H2,1-2H3;5-7,9-13H,3-4,8,14H2,1-2H3;5,7-13H,3-4,6,14H2,1-2H3;3-4,6-10,17,20H,2,5,11H2,1H3;4-5,7-11H,2-3,6,12H2,1H3;4,6-12H,2-3,5,13H2,1H3;3-6,8-12,17-18H,2,7,13H2,1H3;4-7,9-13H,2-3,8,14H2,1H3;5,7-8,10,12,15H,3-4,6,9,11H2,1-2H3.

What are the key properties of 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol?

1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol has a molecular weight of 2455.40 g/mol, XLogP of 41.95, 58 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-[(4-chlorophenyl)methoxy]benzene;1-butyl-3-[(2-methoxyphenyl)methoxy]benzene;1-butyl-3-[(4-methylphenyl)methoxy]benzene;2-[(3-butylphenoxy)methyl]-1,3-dichlorobenzene;1-butyl-3-phenylmethoxybenzene;1-[3-[(2,6-dichlorophenyl)methoxy]phenyl]butan-1-ol;1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol;1-(3-phenylmethoxyphenyl)butan-1-ol;1-(3-propoxyphenoxy)pentan-2-ol is sourced from PubChem (CID 159451806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).