6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one

C16H13BrO2 — CID 3676100

IUPAC6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(cc1Br)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C16H13BrO2/c1-10-7-16-12(8-13(10)17)14(18)9-15(19-16)11-5-3-2-4-6-11/h2-8,15H,9H2,1H3
InChIKeyUKSQZZJOPLMZMZ-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.46
Rot. Bonds1

About 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one

6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 3676100) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID3676100
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one
SMILESCc1cc2c(cc1Br)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C16H13BrO2/c1-10-7-16-12(8-13(10)17)14(18)9-15(19-16)11-5-3-2-4-6-11/h2-8,15H,9H2,1H3
InChIKeyUKSQZZJOPLMZMZ-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one (CID 3676100) is 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one is Cc1cc2c(cc1Br)C(=O)CC(c1ccccc1)O2.
What is the InChIKey of 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is UKSQZZJOPLMZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c1-10-7-16-12(8-13(10)17)14(18)9-15(19-16)11-5-3-2-4-6-11/h2-8,15H,9H2,1H3.
What are the key properties of 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one?
6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 317.18 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 3676100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).