3-(2-oxopropoxy)benzo[c]chromen-6-one

C16H12O4 — CID 701976

IUPAC3-(2-oxopropoxy)benzo[c]chromen-6-one
SMILESCC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C16H12O4/c1-10(17)9-19-11-6-7-13-12-4-2-3-5-14(12)16(18)20-15(13)8-11/h2-8H,9H2,1H3
InChIKeyPYHFONDHNDJEKC-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.91
Rot. Bonds3

About 3-(2-oxopropoxy)benzo[c]chromen-6-one

3-(2-oxopropoxy)benzo[c]chromen-6-one (PubChem CID 701976) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(2-oxopropoxy)benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-(2-oxopropoxy)benzo[c]chromen-6-one
PubChem CID701976
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name3-(2-oxopropoxy)benzo[c]chromen-6-one
SMILESCC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12
InChIInChI=1S/C16H12O4/c1-10(17)9-19-11-6-7-13-12-4-2-3-5-14(12)16(18)20-15(13)8-11/h2-8H,9H2,1H3
InChIKeyPYHFONDHNDJEKC-UHFFFAOYSA-N
XLogP2.91
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropoxy)benzo[c]chromen-6-one?
The IUPAC name of 3-(2-oxopropoxy)benzo[c]chromen-6-one (CID 701976) is 3-(2-oxopropoxy)benzo[c]chromen-6-one.
What is the SMILES notation for 3-(2-oxopropoxy)benzo[c]chromen-6-one?
The canonical SMILES for 3-(2-oxopropoxy)benzo[c]chromen-6-one is CC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12.
What is the InChIKey of 3-(2-oxopropoxy)benzo[c]chromen-6-one?
The InChIKey is PYHFONDHNDJEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-10(17)9-19-11-6-7-13-12-4-2-3-5-14(12)16(18)20-15(13)8-11/h2-8H,9H2,1H3.
What are the key properties of 3-(2-oxopropoxy)benzo[c]chromen-6-one?
3-(2-oxopropoxy)benzo[c]chromen-6-one has a molecular weight of 268.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropoxy)benzo[c]chromen-6-one is sourced from PubChem (CID 701976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).