bromobenzene;2H-chromene

C15H13BrO — CID 174449384

IUPACbromobenzene;2H-chromene
SMILESBrc1ccccc1.C1=Cc2ccccc2OC1
InChIInChI=1S/C9H8O.C6H5Br/c1-2-6-9-8(4-1)5-3-7-10-9;7-6-4-2-1-3-5-6/h1-6H,7H2;1-5H
InChIKeyNQZPCXRNJWANQE-UHFFFAOYSA-N
MW289.17 g/mol
LogP4.54
Rot. Bonds

About bromobenzene;2H-chromene

bromobenzene;2H-chromene (PubChem CID 174449384) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is bromobenzene;2H-chromene.

Molecular Properties

Compound Namebromobenzene;2H-chromene
PubChem CID174449384
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Namebromobenzene;2H-chromene
SMILESBrc1ccccc1.C1=Cc2ccccc2OC1
InChIInChI=1S/C9H8O.C6H5Br/c1-2-6-9-8(4-1)5-3-7-10-9;7-6-4-2-1-3-5-6/h1-6H,7H2;1-5H
InChIKeyNQZPCXRNJWANQE-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;2H-chromene?
The IUPAC name of bromobenzene;2H-chromene (CID 174449384) is bromobenzene;2H-chromene.
What is the SMILES notation for bromobenzene;2H-chromene?
The canonical SMILES for bromobenzene;2H-chromene is Brc1ccccc1.C1=Cc2ccccc2OC1.
What is the InChIKey of bromobenzene;2H-chromene?
The InChIKey is NQZPCXRNJWANQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C6H5Br/c1-2-6-9-8(4-1)5-3-7-10-9;7-6-4-2-1-3-5-6/h1-6H,7H2;1-5H.
What are the key properties of bromobenzene;2H-chromene?
bromobenzene;2H-chromene has a molecular weight of 289.17 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;2H-chromene is sourced from PubChem (CID 174449384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).