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

C20H14O3 — CID 16805603

IUPAC2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1Oc2ccc3ccccc3c2CC1C(=O)c1ccccc1
InChIInChI=1S/C20H14O3/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22/h1-11,17H,12H2
InChIKeyZSSLJXUNDUZGRR-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.80
Rot. Bonds2

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

2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one (PubChem CID 16805603) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one
PubChem CID16805603
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1Oc2ccc3ccccc3c2CC1C(=O)c1ccccc1
InChIInChI=1S/C20H14O3/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22/h1-11,17H,12H2
InChIKeyZSSLJXUNDUZGRR-UHFFFAOYSA-N
XLogP3.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one?
The IUPAC name of 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one (CID 16805603) is 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one.
What is the SMILES notation for 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one?
The canonical SMILES for 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one is O=C1Oc2ccc3ccccc3c2CC1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one?
The InChIKey is ZSSLJXUNDUZGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22/h1-11,17H,12H2.
What are the key properties of 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one?
2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one has a molecular weight of 302.33 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one is sourced from PubChem (CID 16805603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).