7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid

C37H30O9 — CID 10348886

IUPAC7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid
SMILESCCCc1c(OCCCOc2cc(O)c3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2)ccc2c(=O)cc(C(=O)O)oc12
InChIInChI=1S/C37H30O9/c1-2-10-26-29(16-15-25-27(38)21-31(37(41)42)46-36(25)26)44-18-9-17-43-24-19-28(39)33-30(20-24)45-35(23-13-7-4-8-14-23)32(34(33)40)22-11-5-3-6-12-22/h3-8,11-16,19-21,39H,2,9-10,17-18H2,1H3,(H,41,42)
InChIKeyCIABOOLRVBPBNS-UHFFFAOYSA-N
MW618.64 g/mol
LogP7.44
Rot. Bonds11

About 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid

7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid (PubChem CID 10348886) has the molecular formula C37H30O9 and a molecular weight of 618.64 g/mol. Its IUPAC name is 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid.

Molecular Properties

Compound Name7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid
PubChem CID10348886
Molecular FormulaC37H30O9
Molecular Weight618.64 g/mol
Exact Mass618.19
IUPAC Name7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid
SMILESCCCc1c(OCCCOc2cc(O)c3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2)ccc2c(=O)cc(C(=O)O)oc12
InChIInChI=1S/C37H30O9/c1-2-10-26-29(16-15-25-27(38)21-31(37(41)42)46-36(25)26)44-18-9-17-43-24-19-28(39)33-30(20-24)45-35(23-13-7-4-8-14-23)32(34(33)40)22-11-5-3-6-12-22/h3-8,11-16,19-21,39H,2,9-10,17-18H2,1H3,(H,41,42)
InChIKeyCIABOOLRVBPBNS-UHFFFAOYSA-N
XLogP7.44
TPSA136.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.64
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid with MolForge

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Related Compounds

7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one
CID 10370669
7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-3-phenylchromen-4-one
CID 10413131
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-7-phenylmethoxy-3-propoxychromen-4-one
CID 145041816
3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoic acid
CID 21163139
sodium;7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid;hydride
CID 173053035
5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-7-phenylmethoxychromen-4-one
CID 91601169
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3,7-bis(phenylmethoxy)chromen-4-one
CID 11181398
7-butoxy-2-(3,4-dibutoxyphenyl)-5-hydroxy-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]chromen-4-one
CID 90315491
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
[2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxochromen-3-yl] 2-acetyloxybenzoate
CID 154945305
2-[3,4-bis(phenylmethoxy)phenyl]-5-hydroxy-3-(2-methylpropoxy)-7-phenylmethoxychromen-4-one
CID 145041831

Frequently Asked Questions

What is the IUPAC name of 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid?
The IUPAC name of 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid (CID 10348886) is 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid.
What is the SMILES notation for 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid?
The canonical SMILES for 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid is CCCc1c(OCCCOc2cc(O)c3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2)ccc2c(=O)cc(C(=O)O)oc12.
What is the InChIKey of 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid?
The InChIKey is CIABOOLRVBPBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O9/c1-2-10-26-29(16-15-25-27(38)21-31(37(41)42)46-36(25)26)44-18-9-17-43-24-19-28(39)33-30(20-24)45-35(23-13-7-4-8-14-23)32(34(33)40)22-11-5-3-6-12-22/h3-8,11-16,19-21,39H,2,9-10,17-18H2,1H3,(H,41,42).
What are the key properties of 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid?
7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid has a molecular weight of 618.64 g/mol, XLogP of 7.44, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid is sourced from PubChem (CID 10348886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).