3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one

C25H18O5 — CID 56694172

IUPAC3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one
SMILESC=CCc1cccc2cc(C(=O)c3cc4cccc(CC=C)c4oc3=O)c(=O)oc12
InChIInChI=1S/C25H18O5/c1-3-7-15-9-5-11-17-13-19(24(27)29-22(15)17)21(26)20-14-18-12-6-10-16(8-4-2)23(18)30-25(20)28/h3-6,9-14H,1-2,7-8H2
InChIKeyFDAZNFBEDAJOLE-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.59
Rot. Bonds6

About 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one

3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one (PubChem CID 56694172) has the molecular formula C25H18O5 and a molecular weight of 398.41 g/mol. Its IUPAC name is 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one.

Molecular Properties

Compound Name3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one
PubChem CID56694172
Molecular FormulaC25H18O5
Molecular Weight398.41 g/mol
Exact Mass398.12
IUPAC Name3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one
SMILESC=CCc1cccc2cc(C(=O)c3cc4cccc(CC=C)c4oc3=O)c(=O)oc12
InChIInChI=1S/C25H18O5/c1-3-7-15-9-5-11-17-13-19(24(27)29-22(15)17)21(26)20-14-18-12-6-10-16(8-4-2)23(18)30-25(20)28/h3-6,9-14H,1-2,7-8H2
InChIKeyFDAZNFBEDAJOLE-UHFFFAOYSA-N
XLogP4.59
TPSA77.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxyphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 804653
2-oxo-8-prop-2-enyl-N-(1,2,4-triazol-4-yl)chromene-3-carboxamide
CID 21176516
N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide
CID 785049
N-cyclohexyl-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 785044
N-(2-bromophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 611701
N-(2-oxo-8-prop-2-enylchromen-3-yl)acetamide
CID 763579
3-(2-methylimidazole-1-carbonyl)-8-prop-2-enylchromen-2-one
CID 21239634
N-(3,4-dichlorophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 1108271
N-(2,4-dimethylphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 810659
2-[methyl-(2-oxo-8-prop-2-enylchromene-3-carbonyl)amino]benzoic acid
CID 21235323
N-(4-methyl-2-nitrophenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 2888714
N'-(3,4-dimethoxybenzoyl)-2-oxo-8-prop-2-enylchromene-3-carbohydrazide
CID 1122732

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one?
The IUPAC name of 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one (CID 56694172) is 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one.
What is the SMILES notation for 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one?
The canonical SMILES for 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one is C=CCc1cccc2cc(C(=O)c3cc4cccc(CC=C)c4oc3=O)c(=O)oc12.
What is the InChIKey of 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one?
The InChIKey is FDAZNFBEDAJOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O5/c1-3-7-15-9-5-11-17-13-19(24(27)29-22(15)17)21(26)20-14-18-12-6-10-16(8-4-2)23(18)30-25(20)28/h3-6,9-14H,1-2,7-8H2.
What are the key properties of 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one?
3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one has a molecular weight of 398.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-8-prop-2-enylchromene-3-carbonyl)-8-prop-2-enylchromen-2-one is sourced from PubChem (CID 56694172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).