1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene

C53H44O4 — CID 130432775

IUPAC1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
SMILESCc1ccc(Oc2ccc(Cc3ccc(Oc4ccc(Cc5ccc(Oc6ccc(Cc7ccc(Oc8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H44O4/c1-38-3-19-46(20-4-38)54-48-23-7-40(8-24-48)35-42-11-27-50(28-12-42)56-52-31-15-44(16-32-52)37-45-17-33-53(34-18-45)57-51-29-13-43(14-30-51)36-41-9-25-49(26-10-41)55-47-21-5-39(2)6-22-47/h3-34H,35-37H2,1-2H3
InChIKeyQVGSUMCYLPQPGP-UHFFFAOYSA-N
MW744.93 g/mol
LogP14.25
Rot. Bonds14

About 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene

1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene (PubChem CID 130432775) has the molecular formula C53H44O4 and a molecular weight of 744.93 g/mol. Its IUPAC name is 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
PubChem CID130432775
Molecular FormulaC53H44O4
Molecular Weight744.93 g/mol
Exact Mass744.32
IUPAC Name1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
SMILESCc1ccc(Oc2ccc(Cc3ccc(Oc4ccc(Cc5ccc(Oc6ccc(Cc7ccc(Oc8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H44O4/c1-38-3-19-46(20-4-38)54-48-23-7-40(8-24-48)35-42-11-27-50(28-12-42)56-52-31-15-44(16-32-52)37-45-17-33-53(34-18-45)57-51-29-13-43(14-30-51)36-41-9-25-49(26-10-41)55-47-21-5-39(2)6-22-47/h3-34H,35-37H2,1-2H3
InChIKeyQVGSUMCYLPQPGP-UHFFFAOYSA-N
XLogP14.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.93
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene with MolForge

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Related Compounds

1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
2-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
1-methyl-4-[4-[(4-methylphenyl)methyl]phenoxy]naphthalene
CID 142960457
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
1-methyl-4-(4-pentylphenoxy)benzene
CID 142415125

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene?
The IUPAC name of 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene (CID 130432775) is 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene.
What is the SMILES notation for 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene?
The canonical SMILES for 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene is Cc1ccc(Oc2ccc(Cc3ccc(Oc4ccc(Cc5ccc(Oc6ccc(Cc7ccc(Oc8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene?
The InChIKey is QVGSUMCYLPQPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44O4/c1-38-3-19-46(20-4-38)54-48-23-7-40(8-24-48)35-42-11-27-50(28-12-42)56-52-31-15-44(16-32-52)37-45-17-33-53(34-18-45)57-51-29-13-43(14-30-51)36-41-9-25-49(26-10-41)55-47-21-5-39(2)6-22-47/h3-34H,35-37H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene?
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene has a molecular weight of 744.93 g/mol, XLogP of 14.25, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene is sourced from PubChem (CID 130432775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).