1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene

C43H56O6 — CID 126583716

IUPAC1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene
SMILESCOCCOc1ccc(C(C)(C)c2ccc(OC(C)(C)CCOc3ccc(C(C)(C)c4ccc(OC(C)(C)COC)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H56O6/c1-40(2,48-38-23-15-34(16-24-38)43(7,8)33-13-21-37(22-14-33)47-30-29-44-9)27-28-46-36-19-11-32(12-20-36)42(5,6)35-17-25-39(26-18-35)49-41(3,4)31-45-10/h11-26H,27-31H2,1-10H3
InChIKeyGVSBBIYDILBGKB-UHFFFAOYSA-N
MW668.91 g/mol
LogP9.79
Rot. Bonds18

About 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene

1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene (PubChem CID 126583716) has the molecular formula C43H56O6 and a molecular weight of 668.91 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene
PubChem CID126583716
Molecular FormulaC43H56O6
Molecular Weight668.91 g/mol
Exact Mass668.41
IUPAC Name1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene
SMILESCOCCOc1ccc(C(C)(C)c2ccc(OC(C)(C)CCOc3ccc(C(C)(C)c4ccc(OC(C)(C)COC)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H56O6/c1-40(2,48-38-23-15-34(16-24-38)43(7,8)33-13-21-37(22-14-33)47-30-29-44-9)27-28-46-36-19-11-32(12-20-36)42(5,6)35-17-25-39(26-18-35)49-41(3,4)31-45-10/h11-26H,27-31H2,1-10H3
InChIKeyGVSBBIYDILBGKB-UHFFFAOYSA-N
XLogP9.79
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.91
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene with MolForge

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Related Compounds

2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
CID 95440689
1,3-bis[4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20661045
3-[4-[2-[4-(4-hydroxy-2-methylbutan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-3-methylbutan-1-ol
CID 142891336
1-(3-chloropropoxy)-4-[2-[4-(2,2-difluoro-3-methoxypropoxy)phenyl]propan-2-yl]benzene
CID 145063138
2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol
CID 154369507
[4-(2-methoxyethoxy)phenyl]-methylidyneazanium
CID 177451533
CID 58891754
CID 58891754
(2R)-2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 70114787
1-methoxy-2-(4-propoxyphenyl)propan-2-amine
CID 62796268
2-[[4-[2-[4-(3-methoxypropoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 59488995
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
2,4-dimethyl-4-[3-methyl-3-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]butoxy]pent-1-en-3-one;ethane
CID 142098773

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene?
The IUPAC name of 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene (CID 126583716) is 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene.
What is the SMILES notation for 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene?
The canonical SMILES for 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene is COCCOc1ccc(C(C)(C)c2ccc(OC(C)(C)CCOc3ccc(C(C)(C)c4ccc(OC(C)(C)COC)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene?
The InChIKey is GVSBBIYDILBGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H56O6/c1-40(2,48-38-23-15-34(16-24-38)43(7,8)33-13-21-37(22-14-33)47-30-29-44-9)27-28-46-36-19-11-32(12-20-36)42(5,6)35-17-25-39(26-18-35)49-41(3,4)31-45-10/h11-26H,27-31H2,1-10H3.
What are the key properties of 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene?
1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene has a molecular weight of 668.91 g/mol, XLogP of 9.79, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]-4-[4-[4-[2-[4-(1-methoxy-2-methylpropan-2-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylbutan-2-yl]oxybenzene is sourced from PubChem (CID 126583716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).