8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid

C23H16O10 — CID 154093779

IUPAC8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid
SMILESCOc1ccc2c(=O)cc(C(=O)O)oc2c1Cc1c(OC)ccc2c(=O)cc(C(=O)O)oc12
InChIInChI=1S/C23H16O10/c1-30-16-5-3-10-14(24)8-18(22(26)27)32-20(10)12(16)7-13-17(31-2)6-4-11-15(25)9-19(23(28)29)33-21(11)13/h3-6,8-9H,7H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyLUMCKGHXHLOQRQ-UHFFFAOYSA-N
MW452.37 g/mol
LogP2.90
Rot. Bonds6

About 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid

8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid (PubChem CID 154093779) has the molecular formula C23H16O10 and a molecular weight of 452.37 g/mol. Its IUPAC name is 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid.

Molecular Properties

Compound Name8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid
PubChem CID154093779
Molecular FormulaC23H16O10
Molecular Weight452.37 g/mol
Exact Mass452.07
IUPAC Name8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid
SMILESCOc1ccc2c(=O)cc(C(=O)O)oc2c1Cc1c(OC)ccc2c(=O)cc(C(=O)O)oc12
InChIInChI=1S/C23H16O10/c1-30-16-5-3-10-14(24)8-18(22(26)27)32-20(10)12(16)7-13-17(31-2)6-4-11-15(25)9-19(23(28)29)33-21(11)13/h3-6,8-9H,7H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyLUMCKGHXHLOQRQ-UHFFFAOYSA-N
XLogP2.90
TPSA153.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid with MolForge

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Related Compounds

8-methoxy-6-methyl-4-oxochromene-2-carboxylic acid
CID 847725
7-[3-[2-carboxy-8-(2-methylprop-2-enyl)-4-oxochromen-7-yl]oxy-2-hydroxypropoxy]-8-(2-methylprop-2-enyl)-4-oxochromene-2-carboxylic acid
CID 20516522
6-[5-(2-carboxy-7-methoxy-4-oxochromen-6-yl)oxypentoxy]-7-methoxy-4-oxochromene-2-carboxylic acid;dihydrate
CID 162076877
8-(bromomethyl)-2-ethyl-7-methoxychromen-4-one
CID 56642010
5-methoxy-4,7-dioxo-10H-pyrano[3,2-h]quinoline-2,9-dicarboxylic acid
CID 13455101
7-methoxy-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
CID 12724106
(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 3,4,5-trimethoxybenzoate
CID 162658811
sodium;7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid;hydride
CID 173053035
8-(diethoxyphosphorylamino)-4-oxochromene-2-carboxylic acid
CID 10246671
(2-ethyl-7-methoxy-4-oxochromen-8-yl)methyl 2-(4-chlorophenyl)acetate
CID 162659877
7-(carboxymethoxy)-4-oxochromene-2-carboxylic acid
CID 154157927
5,8-dimethoxy-4-oxochromene-2-carboxylate
CID 6928203

Frequently Asked Questions

What is the IUPAC name of 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid?
The IUPAC name of 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid (CID 154093779) is 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid.
What is the SMILES notation for 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid?
The canonical SMILES for 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid is COc1ccc2c(=O)cc(C(=O)O)oc2c1Cc1c(OC)ccc2c(=O)cc(C(=O)O)oc12.
What is the InChIKey of 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid?
The InChIKey is LUMCKGHXHLOQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O10/c1-30-16-5-3-10-14(24)8-18(22(26)27)32-20(10)12(16)7-13-17(31-2)6-4-11-15(25)9-19(23(28)29)33-21(11)13/h3-6,8-9H,7H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid?
8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid has a molecular weight of 452.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-carboxy-7-methoxy-4-oxochromen-8-yl)methyl]-7-methoxy-4-oxochromene-2-carboxylic acid is sourced from PubChem (CID 154093779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).