[4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate

C49H44O8 — CID 143068675

IUPAC[4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate
SMILESCOc1ccc(OC(=O)c2ccc(Oc3ccc4c(c3)C3(CCC(C)(C)c5ccc(Oc6ccc(OC(=O)c7ccc(OC)cc7)cc6)cc53)CC4C)cc2)cc1
InChIInChI=1S/C49H44O8/c1-31-30-49(44-28-40(22-24-42(31)44)54-36-12-8-33(9-13-36)47(51)56-38-16-14-35(53-5)15-17-38)27-26-48(2,3)43-25-23-41(29-45(43)49)55-37-18-20-39(21-19-37)57-46(50)32-6-10-34(52-4)11-7-32/h6-25,28-29,31H,26-27,30H2,1-5H3
InChIKeyGZYJMLDTKQZRKM-UHFFFAOYSA-N
MW760.88 g/mol
LogP11.59
Rot. Bonds10

About [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate

[4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate (PubChem CID 143068675) has the molecular formula C49H44O8 and a molecular weight of 760.88 g/mol. Its IUPAC name is [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate
PubChem CID143068675
Molecular FormulaC49H44O8
Molecular Weight760.88 g/mol
Exact Mass760.30
IUPAC Name[4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate
SMILESCOc1ccc(OC(=O)c2ccc(Oc3ccc4c(c3)C3(CCC(C)(C)c5ccc(Oc6ccc(OC(=O)c7ccc(OC)cc7)cc6)cc53)CC4C)cc2)cc1
InChIInChI=1S/C49H44O8/c1-31-30-49(44-28-40(22-24-42(31)44)54-36-12-8-33(9-13-36)47(51)56-38-16-14-35(53-5)15-17-38)27-26-48(2,3)43-25-23-41(29-45(43)49)55-37-18-20-39(21-19-37)57-46(50)32-6-10-34(52-4)11-7-32/h6-25,28-29,31H,26-27,30H2,1-5H3
InChIKeyGZYJMLDTKQZRKM-UHFFFAOYSA-N
XLogP11.59
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.88
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate with MolForge

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Related Compounds

methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
CID 10669381
(4-aminophenyl) 4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoate
CID 70455985
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
[4-[[4'-[4-(4-methoxybenzoyl)oxybenzoyl]oxy-3,3'-spirobi[1,2-dihydroindene]-4-yl]oxycarbonyl]phenyl] 4-methoxybenzoate
CID 89435955
4-(8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalene-2-carbonyl)oxybenzoate
CID 22641982
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
[4-(4-methoxyphenoxy)phenyl] 4-(4-acetylphenyl)sulfanylbenzoate
CID 59273971
[4-(2-oxopropyl)phenyl] 6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylate
CID 159347824
2-O-[4-[1-[4-[4-(4-acetylphenyl)benzoyl]oxyphenyl]-3,3,5-trimethylcyclohexyl]phenyl] 6-O-[4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]phenyl] naphthalene-2,6-dicarboxylate
CID 134554344
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate?
The IUPAC name of [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate (CID 143068675) is [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate is COc1ccc(OC(=O)c2ccc(Oc3ccc4c(c3)C3(CCC(C)(C)c5ccc(Oc6ccc(OC(=O)c7ccc(OC)cc7)cc6)cc53)CC4C)cc2)cc1.
What is the InChIKey of [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate?
The InChIKey is GZYJMLDTKQZRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44O8/c1-31-30-49(44-28-40(22-24-42(31)44)54-36-12-8-33(9-13-36)47(51)56-38-16-14-35(53-5)15-17-38)27-26-48(2,3)43-25-23-41(29-45(43)49)55-37-18-20-39(21-19-37)57-46(50)32-6-10-34(52-4)11-7-32/h6-25,28-29,31H,26-27,30H2,1-5H3.
What are the key properties of [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate?
[4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate has a molecular weight of 760.88 g/mol, XLogP of 11.59, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-(4-methoxyphenoxy)carbonylphenoxy]-1,5',5'-trimethylspiro[1,2-dihydroindene-3,8'-6,7-dihydronaphthalene]-2'-yl]oxyphenyl] 4-methoxybenzoate is sourced from PubChem (CID 143068675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).