1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene

C120H165Cl5O10 — CID 161390533

About 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene

1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene (PubChem CID 161390533) has the molecular formula C120H165Cl5O10 and a molecular weight of 1944.89 g/mol. Its IUPAC name is 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene.

Molecular Properties

• Compound Name: 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene
• PubChem CID: 161390533
• Molecular Formula: C120H165Cl5O10
• Molecular Weight: 1944.89 g/mol
• Exact Mass: 1941.08
• IUPAC Name: 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene
• SMILES: CCC(C)COc1ccc(C(C)(C)c2ccc(OCC(Cl)CC)cc2)cc1.CC[C@@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@@H](Cl)CC)cc2)cc1.CC[C@@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@H](Cl)CC)cc2)cc1.CC[C@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@@H](Cl)CC)cc2)cc1.CC[C@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@H](Cl)CC)cc2)cc1
• InChI: InChI=1S/5C24H33ClO2/c5*1-6-18(3)16-26-22-12-8-19(9-13-22)24(4,5)20-10-14-23(15-11-20)27-17-21(25)7-2/h5*8-15,18,21H,6-7,16-17H2,1-5H3/t2*18-,21+;2*18-,21-;/m1010./s1
• InChIKey: VSXUSOQKRNPWRA-UCHBJGLKSA-N
• XLogP: 34.17
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 50
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1944.89
LogP ≤ 5	34.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene?

The IUPAC name of 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene (CID 161390533) is 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene.

What is the SMILES notation for 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene?

The canonical SMILES for 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene is CCC(C)COc1ccc(C(C)(C)c2ccc(OCC(Cl)CC)cc2)cc1.CC[C@@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@@H](Cl)CC)cc2)cc1.CC[C@@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@H](Cl)CC)cc2)cc1.CC[C@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@@H](Cl)CC)cc2)cc1.CC[C@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@H](Cl)CC)cc2)cc1.

What is the InChIKey of 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene?

The InChIKey is VSXUSOQKRNPWRA-UCHBJGLKSA-N. The full InChI is InChI=1S/5C24H33ClO2/c5*1-6-18(3)16-26-22-12-8-19(9-13-22)24(4,5)20-10-14-23(15-11-20)27-17-21(25)7-2/h5*8-15,18,21H,6-7,16-17H2,1-5H3/t2*18-,21+;2*18-,21-;/m1010./s1.

What are the key properties of 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene?

1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene has a molecular weight of 1944.89 g/mol, XLogP of 34.17, 50 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2S)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2S)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-[(2R)-2-chlorobutoxy]-4-[2-[4-[(2R)-2-methylbutoxy]phenyl]propan-2-yl]benzene;1-(2-chlorobutoxy)-4-[2-[4-(2-methylbutoxy)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 161390533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).