8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one

C19H13BrO2 — CID 6918866

IUPAC8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1Oc2ccc3cc(Br)ccc3c2CC1c1ccccc1
InChIInChI=1S/C19H13BrO2/c20-14-7-8-15-13(10-14)6-9-18-17(15)11-16(19(21)22-18)12-4-2-1-3-5-12/h1-10,16H,11H2
InChIKeyKNCWGGDYISFPIT-UHFFFAOYSA-N
MW353.22 g/mol
LogP4.85
Rot. Bonds1

About 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one

8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one (PubChem CID 6918866) has the molecular formula C19H13BrO2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one
PubChem CID6918866
Molecular FormulaC19H13BrO2
Molecular Weight353.22 g/mol
Exact Mass352.01
IUPAC Name8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1Oc2ccc3cc(Br)ccc3c2CC1c1ccccc1
InChIInChI=1S/C19H13BrO2/c20-14-7-8-15-13(10-14)6-9-18-17(15)11-16(19(21)22-18)12-4-2-1-3-5-12/h1-10,16H,11H2
InChIKeyKNCWGGDYISFPIT-UHFFFAOYSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
The IUPAC name of 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one (CID 6918866) is 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one.
What is the SMILES notation for 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
The canonical SMILES for 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one is O=C1Oc2ccc3cc(Br)ccc3c2CC1c1ccccc1.
What is the InChIKey of 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
The InChIKey is KNCWGGDYISFPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrO2/c20-14-7-8-15-13(10-14)6-9-18-17(15)11-16(19(21)22-18)12-4-2-1-3-5-12/h1-10,16H,11H2.
What are the key properties of 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one?
8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one has a molecular weight of 353.22 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-phenyl-1,2-dihydrobenzo[f]chromen-3-one is sourced from PubChem (CID 6918866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).