2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione

C25H16O4 — CID 132568688

IUPAC2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione
SMILESCOc1ccc(C2=CC(=C3C(=O)c4ccccc4C3=O)c3ccccc3O2)cc1
InChIInChI=1S/C25H16O4/c1-28-16-12-10-15(11-13-16)22-14-20(17-6-4-5-9-21(17)29-22)23-24(26)18-7-2-3-8-19(18)25(23)27/h2-14H,1H3
InChIKeyYRMMDDIZHWGUCH-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.96
Rot. Bonds2

About 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione

2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione (PubChem CID 132568688) has the molecular formula C25H16O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione
PubChem CID132568688
Molecular FormulaC25H16O4
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione
SMILESCOc1ccc(C2=CC(=C3C(=O)c4ccccc4C3=O)c3ccccc3O2)cc1
InChIInChI=1S/C25H16O4/c1-28-16-12-10-15(11-13-16)22-14-20(17-6-4-5-9-21(17)29-22)23-24(26)18-7-2-3-8-19(18)25(23)27/h2-14H,1H3
InChIKeyYRMMDDIZHWGUCH-UHFFFAOYSA-N
XLogP4.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-[6-chloro-2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione
CID 132568694
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde
CID 57326285
3-(4-methoxyphenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 150304868
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
(4Z)-4-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-2-phenyl-1,3-oxazol-5-one
CID 6046039
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
3-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)inden-1-one
CID 22432894
2-[(4-methoxyphenyl)methylamino]-3-phenylnaphthalene-1,4-dione
CID 70694292
3-(4-methoxyphenyl)spiro[benzo[f]chromene-1,2'-indene]-1',3'-dione
CID 139228865
2-(4-methoxyphenyl)-3-(pyridin-3-ylamino)inden-1-one
CID 22433028

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione?
The IUPAC name of 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione (CID 132568688) is 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione?
The canonical SMILES for 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione is COc1ccc(C2=CC(=C3C(=O)c4ccccc4C3=O)c3ccccc3O2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione?
The InChIKey is YRMMDDIZHWGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O4/c1-28-16-12-10-15(11-13-16)22-14-20(17-6-4-5-9-21(17)29-22)23-24(26)18-7-2-3-8-19(18)25(23)27/h2-14H,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione?
2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione has a molecular weight of 380.40 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione is sourced from PubChem (CID 132568688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).