6H-benzo[c]chromene;hydrobromide

C13H11BrO — CID 70547533

IUPAC6H-benzo[c]chromene;hydrobromide
SMILESBr.c1ccc2c(c1)COc1ccccc1-2
InChIInChI=1S/C13H10O.BrH/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;/h1-8H,9H2;1H
InChIKeyOKBAGWJXLUURGY-UHFFFAOYSA-N
MW263.13 g/mol
LogP3.82
Rot. Bonds

About 6H-benzo[c]chromene;hydrobromide

6H-benzo[c]chromene;hydrobromide (PubChem CID 70547533) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 6H-benzo[c]chromene;hydrobromide.

Molecular Properties

Compound Name6H-benzo[c]chromene;hydrobromide
PubChem CID70547533
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name6H-benzo[c]chromene;hydrobromide
SMILESBr.c1ccc2c(c1)COc1ccccc1-2
InChIInChI=1S/C13H10O.BrH/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;/h1-8H,9H2;1H
InChIKeyOKBAGWJXLUURGY-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6H-benzo[c]chromene;hydrobromide?
The IUPAC name of 6H-benzo[c]chromene;hydrobromide (CID 70547533) is 6H-benzo[c]chromene;hydrobromide.
What is the SMILES notation for 6H-benzo[c]chromene;hydrobromide?
The canonical SMILES for 6H-benzo[c]chromene;hydrobromide is Br.c1ccc2c(c1)COc1ccccc1-2.
What is the InChIKey of 6H-benzo[c]chromene;hydrobromide?
The InChIKey is OKBAGWJXLUURGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.BrH/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;/h1-8H,9H2;1H.
What are the key properties of 6H-benzo[c]chromene;hydrobromide?
6H-benzo[c]chromene;hydrobromide has a molecular weight of 263.13 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-benzo[c]chromene;hydrobromide is sourced from PubChem (CID 70547533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).