(3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium

C22H20NO6+ — CID 23412525

IUPAC(3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium
SMILESCOc1ccc([NH+](c2ccc(OC)cc2)c2cc(C(=O)O)cc(C(=O)O)c2)cc1
InChIInChI=1S/C22H19NO6/c1-28-19-7-3-16(4-8-19)23(17-5-9-20(29-2)10-6-17)18-12-14(21(24)25)11-15(13-18)22(26)27/h3-13H,1-2H3,(H,24,25)(H,26,27)/p+1
InChIKeyXDLJVEIVOZRLGG-UHFFFAOYSA-O
MW394.40 g/mol
LogP3.28
Rot. Bonds7

About (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium

(3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium (PubChem CID 23412525) has the molecular formula C22H20NO6+ and a molecular weight of 394.40 g/mol. Its IUPAC name is (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium.

Molecular Properties

Compound Name(3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium
PubChem CID23412525
Molecular FormulaC22H20NO6+
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name(3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium
SMILESCOc1ccc([NH+](c2ccc(OC)cc2)c2cc(C(=O)O)cc(C(=O)O)c2)cc1
InChIInChI=1S/C22H19NO6/c1-28-19-7-3-16(4-8-19)23(17-5-9-20(29-2)10-6-17)18-12-14(21(24)25)11-15(13-18)22(26)27/h3-13H,1-2H3,(H,24,25)(H,26,27)/p+1
InChIKeyXDLJVEIVOZRLGG-UHFFFAOYSA-O
XLogP3.28
TPSA97.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
4-hydroxy-6-methoxynaphthalene-2-carboxylic acid
CID 19868719
CID 16732361
CID 16732361
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
5-[5-[4-(4-methoxyphenyl)phenoxy]pentoxy]benzene-1,3-dicarboxylic acid
CID 100977518
3-(4-methoxyphenyl)-5-nitrobenzoic acid
CID 53225450
5-[(4-methoxyphenyl)methyldiazenyl]benzene-1,3-dicarboxylic acid
CID 90925844
4-deuterio-3,5-dimethoxybenzoic acid
CID 11159692

Frequently Asked Questions

What is the IUPAC name of (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium?
The IUPAC name of (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium (CID 23412525) is (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium.
What is the SMILES notation for (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium?
The canonical SMILES for (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium is COc1ccc([NH+](c2ccc(OC)cc2)c2cc(C(=O)O)cc(C(=O)O)c2)cc1.
What is the InChIKey of (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium?
The InChIKey is XDLJVEIVOZRLGG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19NO6/c1-28-19-7-3-16(4-8-19)23(17-5-9-20(29-2)10-6-17)18-12-14(21(24)25)11-15(13-18)22(26)27/h3-13H,1-2H3,(H,24,25)(H,26,27)/p+1.
What are the key properties of (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium?
(3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium has a molecular weight of 394.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dicarboxyphenyl)-bis(4-methoxyphenyl)azanium is sourced from PubChem (CID 23412525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).