methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate

C88H80O12 — CID 59204228

IUPACmethyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(OCc3ccc(OCc4ccc(OCc5ccc(C)cc5)cc4)c(OCc4ccc(OCc5ccc(C)cc5)cc4)c3)cc(OCc3ccc(OCc4ccc(OCc5ccc(C)cc5)cc4)c(OCc4ccc(OCc5ccc(C)cc5)cc4)c3)c2)cc1
InChIInChI=1S/C88H80O12/c1-61-6-14-65(15-7-61)51-91-78-36-22-69(23-37-78)55-97-84-44-30-73(46-86(84)99-57-71-26-40-80(41-27-71)93-53-67-18-10-63(3)11-19-67)59-95-82-48-77(75-32-34-76(35-33-75)88(89)90-5)49-83(50-82)96-60-74-31-45-85(98-56-70-24-38-79(39-25-70)92-52-66-16-8-62(2)9-17-66)87(47-74)100-58-72-28-42-81(43-29-72)94-54-68-20-12-64(4)13-21-68/h6-50H,51-60H2,1-5H3
InChIKeyDNTYXJGATKHJHG-UHFFFAOYSA-N
MW1329.60 g/mol
LogP20.16
Rot. Bonds32

About methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate

methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate (PubChem CID 59204228) has the molecular formula C88H80O12 and a molecular weight of 1329.60 g/mol. Its IUPAC name is methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate
PubChem CID59204228
Molecular FormulaC88H80O12
Molecular Weight1329.60 g/mol
Exact Mass1328.56
IUPAC Namemethyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2cc(OCc3ccc(OCc4ccc(OCc5ccc(C)cc5)cc4)c(OCc4ccc(OCc5ccc(C)cc5)cc4)c3)cc(OCc3ccc(OCc4ccc(OCc5ccc(C)cc5)cc4)c(OCc4ccc(OCc5ccc(C)cc5)cc4)c3)c2)cc1
InChIInChI=1S/C88H80O12/c1-61-6-14-65(15-7-61)51-91-78-36-22-69(23-37-78)55-97-84-44-30-73(46-86(84)99-57-71-26-40-80(41-27-71)93-53-67-18-10-63(3)11-19-67)59-95-82-48-77(75-32-34-76(35-33-75)88(89)90-5)49-83(50-82)96-60-74-31-45-85(98-56-70-24-38-79(39-25-70)92-52-66-16-8-62(2)9-17-66)87(47-74)100-58-72-28-42-81(43-29-72)94-54-68-20-12-64(4)13-21-68/h6-50H,51-60H2,1-5H3
InChIKeyDNTYXJGATKHJHG-UHFFFAOYSA-N
XLogP20.16
TPSA118.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001329.60
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate with MolForge

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Related Compounds

methyl acetate;methyl 4-[3,5-bis[[4-[[3,4-bis[(4-ethenylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate;icosahydrate
CID 160875940
methane;methyl acetate;methyl 4-[3,5-bis[[4-[3,4-bis[(4-dodecoxyphenyl)methoxy]phenyl]phenyl]methoxy]phenyl]benzoate;methyl 4-[3,5-bis[[4-[3,4-bis[[4-(4-dodecoxyphenyl)phenyl]methoxy]phenyl]phenyl]methoxy]phenyl]benzoate
CID 158797348
2-methoxyethyl 4-[3,5-bis[[4-[[3,4-bis[(4-dodecoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate
CID 102089423
methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene
CID 58627170
4-[3,5-bis[[4-[[3,4-bis[(4-dodecoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoic acid
CID 102089422
4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene
CID 58627131
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
methyl 4-[(4-amino-3-methylphenoxy)methyl]benzoate
CID 28942601

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate?
The IUPAC name of methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate (CID 59204228) is methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate.
What is the SMILES notation for methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate?
The canonical SMILES for methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate is COC(=O)c1ccc(-c2cc(OCc3ccc(OCc4ccc(OCc5ccc(C)cc5)cc4)c(OCc4ccc(OCc5ccc(C)cc5)cc4)c3)cc(OCc3ccc(OCc4ccc(OCc5ccc(C)cc5)cc4)c(OCc4ccc(OCc5ccc(C)cc5)cc4)c3)c2)cc1.
What is the InChIKey of methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate?
The InChIKey is DNTYXJGATKHJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H80O12/c1-61-6-14-65(15-7-61)51-91-78-36-22-69(23-37-78)55-97-84-44-30-73(46-86(84)99-57-71-26-40-80(41-27-71)93-53-67-18-10-63(3)11-19-67)59-95-82-48-77(75-32-34-76(35-33-75)88(89)90-5)49-83(50-82)96-60-74-31-45-85(98-56-70-24-38-79(39-25-70)92-52-66-16-8-62(2)9-17-66)87(47-74)100-58-72-28-42-81(43-29-72)94-54-68-20-12-64(4)13-21-68/h6-50H,51-60H2,1-5H3.
What are the key properties of methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate?
methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate has a molecular weight of 1329.60 g/mol, XLogP of 20.16, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate is sourced from PubChem (CID 59204228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).