2-(2-bromophenyl)-2,3-dihydrochromen-4-one

C15H11BrO2 — CID 5271535

IUPAC2-(2-bromophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2Br)Oc2ccccc21
InChIInChI=1S/C15H11BrO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15H,9H2
InChIKeyXBJCSFWSBKCPOL-UHFFFAOYSA-N
MW303.15 g/mol
LogP4.16
Rot. Bonds1

About 2-(2-bromophenyl)-2,3-dihydrochromen-4-one

2-(2-bromophenyl)-2,3-dihydrochromen-4-one (PubChem CID 5271535) has the molecular formula C15H11BrO2 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-2,3-dihydrochromen-4-one
PubChem CID5271535
Molecular FormulaC15H11BrO2
Molecular Weight303.15 g/mol
Exact Mass301.99
IUPAC Name2-(2-bromophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2Br)Oc2ccccc21
InChIInChI=1S/C15H11BrO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15H,9H2
InChIKeyXBJCSFWSBKCPOL-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2-bromophenyl)-2,3-dihydrochromen-4-one (CID 5271535) is 2-(2-bromophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2-bromophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2-bromophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccccc2Br)Oc2ccccc21.
What is the InChIKey of 2-(2-bromophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is XBJCSFWSBKCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15H,9H2.
What are the key properties of 2-(2-bromophenyl)-2,3-dihydrochromen-4-one?
2-(2-bromophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 303.15 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 5271535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).