methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate

C50H52O7 — CID 90391979

IUPACmethyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(OCc2cc(C)c(C)c(OCc3ccccc3)c2)c(OCc2cc(C)c(C)c(C)c2)c(OCc2cc(C)c(C)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C50H52O7/c1-32-19-41(20-33(2)36(32)5)31-57-49-47(55-29-42-21-34(3)37(6)45(23-42)53-27-39-15-11-9-12-16-39)25-44(50(51)52-8)26-48(49)56-30-43-22-35(4)38(7)46(24-43)54-28-40-17-13-10-14-18-40/h9-26H,27-31H2,1-8H3
InChIKeyUONYTQCMRVWTHV-UHFFFAOYSA-N
MW764.96 g/mol
LogP11.53
Rot. Bonds16

About methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate

methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate (PubChem CID 90391979) has the molecular formula C50H52O7 and a molecular weight of 764.96 g/mol. Its IUPAC name is methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
PubChem CID90391979
Molecular FormulaC50H52O7
Molecular Weight764.96 g/mol
Exact Mass764.37
IUPAC Namemethyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate
SMILESCOC(=O)c1cc(OCc2cc(C)c(C)c(OCc3ccccc3)c2)c(OCc2cc(C)c(C)c(C)c2)c(OCc2cc(C)c(C)c(OCc3ccccc3)c2)c1
InChIInChI=1S/C50H52O7/c1-32-19-41(20-33(2)36(32)5)31-57-49-47(55-29-42-21-34(3)37(6)45(23-42)53-27-39-15-11-9-12-16-39)25-44(50(51)52-8)26-48(49)56-30-43-22-35(4)38(7)46(24-43)54-28-40-17-13-10-14-18-40/h9-26H,27-31H2,1-8H3
InChIKeyUONYTQCMRVWTHV-UHFFFAOYSA-N
XLogP11.53
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.96
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate with MolForge

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Related Compounds

methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 8-bromo-4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 4059731
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
methyl 3,5-bis[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]-4-[[3,4,5-tris[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]benzoate
CID 102291539
methyl 4-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 151712376
methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
CID 16567479
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346
1-[3-[[4-[(2,3,4-trimethylphenyl)methoxy]-3,5-bis[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]-4,5-bis[[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]methoxy]phenyl]ethanone;1-[3,4,5-tris[(3,4,5-trimethylphenyl)methoxy]phenyl]ethanone
CID 91613832
methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
CID 99965462
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
methyl 3-bromo-4-phenylmethoxybenzoate
CID 23111814

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate?
The IUPAC name of methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate (CID 90391979) is methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate?
The canonical SMILES for methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate is COC(=O)c1cc(OCc2cc(C)c(C)c(OCc3ccccc3)c2)c(OCc2cc(C)c(C)c(C)c2)c(OCc2cc(C)c(C)c(OCc3ccccc3)c2)c1.
What is the InChIKey of methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate?
The InChIKey is UONYTQCMRVWTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H52O7/c1-32-19-41(20-33(2)36(32)5)31-57-49-47(55-29-42-21-34(3)37(6)45(23-42)53-27-39-15-11-9-12-16-39)25-44(50(51)52-8)26-48(49)56-30-43-22-35(4)38(7)46(24-43)54-28-40-17-13-10-14-18-40/h9-26H,27-31H2,1-8H3.
What are the key properties of methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate?
methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate has a molecular weight of 764.96 g/mol, XLogP of 11.53, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-bis[(3,4-dimethyl-5-phenylmethoxyphenyl)methoxy]-4-[(3,4,5-trimethylphenyl)methoxy]benzoate is sourced from PubChem (CID 90391979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).