1,2-dihydrobenzo[f]chromen-3-one

C13H10O2 — CID 5269

IUPAC1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1CCc2c(ccc3ccccc23)O1
InChIInChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
InChIKeyISFPDBUKMJDAJH-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.69
Rot. Bonds

About 1,2-dihydrobenzo[f]chromen-3-one

1,2-dihydrobenzo[f]chromen-3-one (PubChem CID 5269) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1,2-dihydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name1,2-dihydrobenzo[f]chromen-3-one
PubChem CID5269
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1CCc2c(ccc3ccccc23)O1
InChIInChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
InChIKeyISFPDBUKMJDAJH-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-dihydrobenzo[f]chromen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dihydrocoumarin
CID 660
Acetomenaphthone
CID 11310
Naproxen Sodium
CID 23681059
6-Methoxy-2-naphthylacetic acid
CID 32176
Ethyl 3-oxo-3H-naphtho(2,1-b)pyran-2-carboxylate
CID 69774
1-Naphthyl acetate
CID 13247
2-Naphthyl benzoate
CID 66734
6H-dibenzo(b,d)pyran-6-one
CID 16173
3-Oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid
CID 737853
6-Methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 3791643
3,4-Dihydro-6-methylcoumarin
CID 66708
2-Naphthyl acetate
CID 73709

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrobenzo[f]chromen-3-one?
The IUPAC name of 1,2-dihydrobenzo[f]chromen-3-one (CID 5269) is 1,2-dihydrobenzo[f]chromen-3-one.
What is the SMILES notation for 1,2-dihydrobenzo[f]chromen-3-one?
The canonical SMILES for 1,2-dihydrobenzo[f]chromen-3-one is O=C1CCc2c(ccc3ccccc23)O1.
What is the InChIKey of 1,2-dihydrobenzo[f]chromen-3-one?
The InChIKey is ISFPDBUKMJDAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2.
What are the key properties of 1,2-dihydrobenzo[f]chromen-3-one?
1,2-dihydrobenzo[f]chromen-3-one has a molecular weight of 198.22 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrobenzo[f]chromen-3-one is sourced from PubChem (CID 5269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).