[2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate

C75H82O10 — CID 155014061

IUPAC[2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate
SMILESCCCC(C)(C)C(=O)c1ccc(Oc2ccc(C(=O)Oc3cccc4c(OC(C)(CC)C(CC)(CCC)C(=O)c5ccc(Oc6ccc(C(=O)Oc7ccc(C(C)c8ccc(OC(C)(C)CC)c(C)c8)cc7C)cc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C75H82O10/c1-14-45-72(9,10)68(76)52-25-35-58(36-26-52)80-61-41-31-55(32-42-61)71(79)83-66-23-19-22-63-62(66)21-20-24-67(63)85-74(13,17-4)75(18-5,46-15-2)69(77)53-27-37-59(38-28-53)81-60-39-29-54(30-40-60)70(78)82-64-43-33-56(47-49(64)6)51(8)57-34-44-65(50(7)48-57)84-73(11,12)16-3/h19-44,47-48,51H,14-18,45-46H2,1-13H3
InChIKeyUQGUEXVKUFEPKW-UHFFFAOYSA-N
MW1143.47 g/mol
LogP19.83
Rot. Bonds26

About [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate

[2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate (PubChem CID 155014061) has the molecular formula C75H82O10 and a molecular weight of 1143.47 g/mol. Its IUPAC name is [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate.

Molecular Properties

Compound Name[2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate
PubChem CID155014061
Molecular FormulaC75H82O10
Molecular Weight1143.47 g/mol
Exact Mass1142.59
IUPAC Name[2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate
SMILESCCCC(C)(C)C(=O)c1ccc(Oc2ccc(C(=O)Oc3cccc4c(OC(C)(CC)C(CC)(CCC)C(=O)c5ccc(Oc6ccc(C(=O)Oc7ccc(C(C)c8ccc(OC(C)(C)CC)c(C)c8)cc7C)cc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C75H82O10/c1-14-45-72(9,10)68(76)52-25-35-58(36-26-52)80-61-41-31-55(32-42-61)71(79)83-66-23-19-22-63-62(66)21-20-24-67(63)85-74(13,17-4)75(18-5,46-15-2)69(77)53-27-37-59(38-28-53)81-60-39-29-54(30-40-60)70(78)82-64-43-33-56(47-49(64)6)51(8)57-34-44-65(50(7)48-57)84-73(11,12)16-3/h19-44,47-48,51H,14-18,45-46H2,1-13H3
InChIKeyUQGUEXVKUFEPKW-UHFFFAOYSA-N
XLogP19.83
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.47
LogP ≤ 519.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate with MolForge

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Related Compounds

[2-methyl-4-[1-[3-methyl-4-(3-methylpentan-3-yloxy)phenyl]ethyl]phenyl] 4-[4-(2-ethyl-2-methylbutanoyl)oxyphenoxy]benzoate
CID 129120832
[2-methyl-4-[1-[3-methyl-4-(3-methylpentan-3-yloxy)phenyl]ethyl]phenyl] 4-(4-butan-2-ylphenoxy)benzoate
CID 139319727
CID 163914143
CID 163914143
[4-[2-[4-[3-ethyl-2-methyl-1-[4-[4-[2-methyl-4-[2-[3-methyl-4-(3-methylpentan-3-yloxy)phenyl]propan-2-yl]phenoxy]carbonylphenoxy]phenyl]-1-oxopentan-3-yl]oxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] 3-(2-methylpropanoyl)benzoate
CID 89291917
[2-methyl-4-[1-[3-methyl-4-(3-methylpentan-3-yl)phenyl]ethyl]phenyl] 4-(4-propan-2-yloxycarbonylphenyl)benzoate
CID 89190505
[4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenyl] benzoate
CID 89256327
[4-[3-[3-(2-methylbutan-2-yloxy)anilino]phenoxy]phenyl]-(4-propan-2-ylphenyl)methanone
CID 130400556
3-O-[4-[1-(3,4-dimethylphenyl)ethyl]-2-methylphenyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 22898061
1-[4-[4-(1-hydroxyoctadecyl)-2-methylphenoxy]phenyl]-2,2-dimethylpropan-1-one
CID 152781385
[4-[2-[4-[1-[4-[4-[2-(4-ethoxy-3-methylphenyl)propan-2-yl]-2-methylphenoxy]carbonylphenyl]-2-methyl-1-oxopropan-2-yl]oxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] 3-(2-methylbutanoyl)benzoate
CID 163421553
2-methyl-2-[2-methyl-4-[3-[[(4-propan-2-ylbenzoyl)amino]methyl]phenoxy]phenoxy]propanoic acid
CID 69115845
[4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone
CID 70658512

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate?
The IUPAC name of [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate (CID 155014061) is [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate.
What is the SMILES notation for [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate?
The canonical SMILES for [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate is CCCC(C)(C)C(=O)c1ccc(Oc2ccc(C(=O)Oc3cccc4c(OC(C)(CC)C(CC)(CCC)C(=O)c5ccc(Oc6ccc(C(=O)Oc7ccc(C(C)c8ccc(OC(C)(C)CC)c(C)c8)cc7C)cc6)cc5)cccc34)cc2)cc1.
What is the InChIKey of [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate?
The InChIKey is UQGUEXVKUFEPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H82O10/c1-14-45-72(9,10)68(76)52-25-35-58(36-26-52)80-61-41-31-55(32-42-61)71(79)83-66-23-19-22-63-62(66)21-20-24-67(63)85-74(13,17-4)75(18-5,46-15-2)69(77)53-27-37-59(38-28-53)81-60-39-29-54(30-40-60)70(78)82-64-43-33-56(47-49(64)6)51(8)57-34-44-65(50(7)48-57)84-73(11,12)16-3/h19-44,47-48,51H,14-18,45-46H2,1-13H3.
What are the key properties of [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate?
[2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate has a molecular weight of 1143.47 g/mol, XLogP of 19.83, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[1-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]ethyl]phenyl] 4-[4-[3-[5-[4-[4-(2,2-dimethylpentanoyl)phenoxy]benzoyl]oxynaphthalen-1-yl]oxy-2-ethyl-3-methyl-2-propylpentanoyl]phenoxy]benzoate is sourced from PubChem (CID 155014061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).