5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid

C26H22O12 — CID 163207086

IUPAC5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid
SMILESCOc1c(OC)c(-c2cc(C(=O)O)cc(C(=O)O)c2)c(OC)c(OC)c1-c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C26H22O12/c1-35-19-17(11-5-13(23(27)28)9-14(6-11)24(29)30)21(37-3)22(38-4)18(20(19)36-2)12-7-15(25(31)32)10-16(8-12)26(33)34/h5-10H,1-4H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
InChIKeyJOAIZXMOGRRFJL-UHFFFAOYSA-N
MW526.45 g/mol
LogP3.85
Rot. Bonds10

About 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid

5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid (PubChem CID 163207086) has the molecular formula C26H22O12 and a molecular weight of 526.45 g/mol. Its IUPAC name is 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid
PubChem CID163207086
Molecular FormulaC26H22O12
Molecular Weight526.45 g/mol
Exact Mass526.11
IUPAC Name5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid
SMILESCOc1c(OC)c(-c2cc(C(=O)O)cc(C(=O)O)c2)c(OC)c(OC)c1-c1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C26H22O12/c1-35-19-17(11-5-13(23(27)28)9-14(6-11)24(29)30)21(37-3)22(38-4)18(20(19)36-2)12-7-15(25(31)32)10-16(8-12)26(33)34/h5-10H,1-4H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)
InChIKeyJOAIZXMOGRRFJL-UHFFFAOYSA-N
XLogP3.85
TPSA186.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.45
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-3,5-di(propan-2-yl)benzoic acid
CID 15895030
5-[4-[4-(3,5-dicarboxyphenyl)-3,5-dimethylphenyl]-2,6-dimethylphenyl]benzene-1,3-dicarboxylic acid
CID 118103007
benzene;5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
CID 175078023
5-[3-[3,5-bis[3,5-bis(3,5-dicarboxyphenyl)phenyl]phenyl]-5-(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
CID 102363703
4-[5-[3,5-bis(4-carboxyphenyl)-4-methoxyphenyl]-3-(4-carboxyphenyl)-2-methoxyphenyl]benzoic acid
CID 132537880
5-(2,3,4,5,6-pentafluorophenyl)benzene-1,3-dicarboxylic acid
CID 177395846
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
6-methylazulene-2-carboxylic acid
CID 57055895
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid (CID 163207086) is 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid is COc1c(OC)c(-c2cc(C(=O)O)cc(C(=O)O)c2)c(OC)c(OC)c1-c1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid?
The InChIKey is JOAIZXMOGRRFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O12/c1-35-19-17(11-5-13(23(27)28)9-14(6-11)24(29)30)21(37-3)22(38-4)18(20(19)36-2)12-7-15(25(31)32)10-16(8-12)26(33)34/h5-10H,1-4H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34).
What are the key properties of 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid?
5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid has a molecular weight of 526.45 g/mol, XLogP of 3.85, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-dicarboxyphenyl)-2,3,5,6-tetramethoxyphenyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 163207086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).