2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid

C54H56O18 — CID 10819798

IUPAC2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid
SMILESCOc1ccc(OCC(=O)O)c(Cc2cc(O)c(Cc3cc(OCC(=O)O)c(Cc4cc(O)c(Cc5cc(OCC(=O)O)c(Cc6cc(O)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
InChIInChI=1S/C54H56O18/c1-29-10-45(65-3)33(17-41(29)55)14-38-22-48(68-6)36(24-50(38)71-27-53(60)61)12-31-21-47(67-5)35(19-43(31)57)15-39-23-49(69-7)37(25-51(39)72-28-54(62)63)11-30-20-46(66-4)34(18-42(30)56)13-32-16-40(64-2)8-9-44(32)70-26-52(58)59/h8-10,16-25,55-57H,11-15,26-28H2,1-7H3,(H,58,59)(H,60,61)(H,62,63)
InChIKeyQKNYYCRUUWEYEA-UHFFFAOYSA-N
MW993.02 g/mol
LogP7.51
Rot. Bonds25

About 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid

2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid (PubChem CID 10819798) has the molecular formula C54H56O18 and a molecular weight of 993.02 g/mol. Its IUPAC name is 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid
PubChem CID10819798
Molecular FormulaC54H56O18
Molecular Weight993.02 g/mol
Exact Mass992.35
IUPAC Name2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid
SMILESCOc1ccc(OCC(=O)O)c(Cc2cc(O)c(Cc3cc(OCC(=O)O)c(Cc4cc(O)c(Cc5cc(OCC(=O)O)c(Cc6cc(O)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1
InChIInChI=1S/C54H56O18/c1-29-10-45(65-3)33(17-41(29)55)14-38-22-48(68-6)36(24-50(38)71-27-53(60)61)12-31-21-47(67-5)35(19-43(31)57)15-39-23-49(69-7)37(25-51(39)72-28-54(62)63)11-30-20-46(66-4)34(18-42(30)56)13-32-16-40(64-2)8-9-44(32)70-26-52(58)59/h8-10,16-25,55-57H,11-15,26-28H2,1-7H3,(H,58,59)(H,60,61)(H,62,63)
InChIKeyQKNYYCRUUWEYEA-UHFFFAOYSA-N
XLogP7.51
TPSA255.66 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500993.02
LogP ≤ 57.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid with MolForge

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Related Compounds

2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
2-[3-[[5-(carboxymethoxy)-3-[[5-(carboxymethoxy)-3-[[5-(carboxymethoxy)-3-ethyl-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid
CID 57164213
2-[4-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenoxy]acetic acid
CID 69118840
2-(5-chlorooxy-2-methylphenoxy)acetic acid
CID 159849914
2-[5-[5-(carboxymethoxy)-4-methoxy-2-methylphenyl]-2-methoxy-4-methylphenoxy]acetic acid
CID 101351133
2-[2-[[4-[[5-(cyanomethoxy)-4-[[4-[[5-(cyanomethoxy)-4-[(5-hexoxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hexoxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hexoxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetonitrile
CID 10630143
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 43276291
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
CID 90901057
2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid
CID 142685473
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
2-[2-(4-ethylsulfonylphenyl)-4-methoxyphenoxy]acetic acid
CID 11393975

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid (CID 10819798) is 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid is COc1ccc(OCC(=O)O)c(Cc2cc(O)c(Cc3cc(OCC(=O)O)c(Cc4cc(O)c(Cc5cc(OCC(=O)O)c(Cc6cc(O)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1.
What is the InChIKey of 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid?
The InChIKey is QKNYYCRUUWEYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H56O18/c1-29-10-45(65-3)33(17-41(29)55)14-38-22-48(68-6)36(24-50(38)71-27-53(60)61)12-31-21-47(67-5)35(19-43(31)57)15-39-23-49(69-7)37(25-51(39)72-28-54(62)63)11-30-20-46(66-4)34(18-42(30)56)13-32-16-40(64-2)8-9-44(32)70-26-52(58)59/h8-10,16-25,55-57H,11-15,26-28H2,1-7H3,(H,58,59)(H,60,61)(H,62,63).
What are the key properties of 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid?
2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid has a molecular weight of 993.02 g/mol, XLogP of 7.51, 25 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[[5-(carboxymethoxy)-4-[[4-[[5-(carboxymethoxy)-4-[(5-hydroxy-2-methoxy-4-methylphenyl)methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl]-5-hydroxy-2-methoxyphenyl]methyl]-4-methoxyphenoxy]acetic acid is sourced from PubChem (CID 10819798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).