3-methylidenebenzo[g]chromene-2,4-dione

C14H8O3 — CID 21301843

IUPAC3-methylidenebenzo[g]chromene-2,4-dione
SMILESC=C1C(=O)Oc2cc3ccccc3cc2C1=O
InChIInChI=1S/C14H8O3/c1-8-13(15)11-6-9-4-2-3-5-10(9)7-12(11)17-14(8)16/h2-7H,1H2
InChIKeySOFHDBBECZQKTI-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.50
Rot. Bonds

About 3-methylidenebenzo[g]chromene-2,4-dione

3-methylidenebenzo[g]chromene-2,4-dione (PubChem CID 21301843) has the molecular formula C14H8O3 and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-methylidenebenzo[g]chromene-2,4-dione.

Molecular Properties

Compound Name3-methylidenebenzo[g]chromene-2,4-dione
PubChem CID21301843
Molecular FormulaC14H8O3
Molecular Weight224.21 g/mol
Exact Mass224.05
IUPAC Name3-methylidenebenzo[g]chromene-2,4-dione
SMILESC=C1C(=O)Oc2cc3ccccc3cc2C1=O
InChIInChI=1S/C14H8O3/c1-8-13(15)11-6-9-4-2-3-5-10(9)7-12(11)17-14(8)16/h2-7H,1H2
InChIKeySOFHDBBECZQKTI-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenebenzo[g]chromene-2,4-dione?
The IUPAC name of 3-methylidenebenzo[g]chromene-2,4-dione (CID 21301843) is 3-methylidenebenzo[g]chromene-2,4-dione.
What is the SMILES notation for 3-methylidenebenzo[g]chromene-2,4-dione?
The canonical SMILES for 3-methylidenebenzo[g]chromene-2,4-dione is C=C1C(=O)Oc2cc3ccccc3cc2C1=O.
What is the InChIKey of 3-methylidenebenzo[g]chromene-2,4-dione?
The InChIKey is SOFHDBBECZQKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c1-8-13(15)11-6-9-4-2-3-5-10(9)7-12(11)17-14(8)16/h2-7H,1H2.
What are the key properties of 3-methylidenebenzo[g]chromene-2,4-dione?
3-methylidenebenzo[g]chromene-2,4-dione has a molecular weight of 224.21 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenebenzo[g]chromene-2,4-dione is sourced from PubChem (CID 21301843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).